7-[1-(4-tert-butylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

7-[1-(4-tert-butylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

CAS: 477865-05-7

Formula: C17H21N5O

SMILES: CC(OC1=CC=C(C=C1)C(C)(C)C)C1=CC=NC2=NC(N)=NN12

IUPAC: 7-[1-(4-tert-butylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

InChI: InChI=1/C17H21N5O/c1-11(14-9-10-19-16-20-15(18)21-22(14)16)23-13-7-5-12(6-8-13)17(2,3)4/h5-11H,1-4H3,(H2,18,21)

Composition: C (65.57%), H (6.80%), N (22.49%), O (5.14%)

Molar Mass: 311.389

Atom Count: 44

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	311.174610316
Formal Charge	0
FSP3	0.35
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	YUPCMIYNTMZQIN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.29
Topological Polar Surface Area	78.33
Polarizability	33.88
Ring Count	3
Rotatable Bond Count	4

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	477865-05-7		$51.35-$524.40$51.35$63.37$86.31$524.40