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(5-amino-4H-1,2,4-triazol-3-yl)methanol

(5-amino-4H-1,2,4-triazol-3-yl)methanol

CAS: 27277-03-8

Formula: C3H6N4O

SMILES: NC1=NN=C(CO)N1

IUPAC: (5-amino-4H-1,2,4-triazol-3-yl)methanol

InChI: InChI=1S/C3H6N4O/c4-3-5-2(1-8)6-7-3/h8H,1H2,(H3,4,5,6,7)

Composition: C (31.58%), H (5.30%), N (49.10%), O (14.02%)

Molar Mass: 114.108

Atom Count: 14

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 114.054160829
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey WQWSMVWRGAFPJX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 29.55
Topological Polar Surface Area 87.82
Polarizability 9.99
Ring Count 1
Rotatable Bond Count 1

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95% <5 Days 27277-03-8 $462.00$462.00
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