Text Search
Structure Search

1-[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methanamine hydrochloride

1-[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methanamine hydrochloride

CAS: 1258650-54-2

Formula: C10H13ClN4O

SMILES: Cl.COC1=CC=C(C=C1)C1=NN=C(CN)N1

IUPAC: 1-[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methanamine hydrochloride

InChI: InChI=1S/C10H12N4O.ClH/c1-15-8-4-2-7(3-5-8)10-12-9(6-11)13-14-10;/h2-5H,6,11H2,1H3,(H,12,13,14);1H

Composition: C (49.90%), H (5.44%), Cl (14.73%), N (23.28%), O (6.65%)

Molar Mass: 240.69

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 240.0777888
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey KNSWTTZYGZWZIV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.59
Topological Polar Surface Area 76.82
Polarizability 22.41
Ring Count 2
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1258650-54-2 $51.35-$1,474.88$51.35$63.37$86.31$357.25$509.11$1,474.88
Request Quote