N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine

C17H16N4O — CID 134589560

IUPACN-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
SMILESc1ccc(-n2cnc(Nc3cccc(OC4CC4)c3)n2)cc1
InChIInChI=1S/C17H16N4O/c1-2-6-14(7-3-1)21-12-18-17(20-21)19-13-5-4-8-16(11-13)22-15-9-10-15/h1-8,11-12,15H,9-10H2,(H,19,20)
InChIKeyZJYKDJQCRQZOOP-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.55
Rot. Bonds5

About N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine

N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine (PubChem CID 134589560) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
PubChem CID134589560
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
SMILESc1ccc(-n2cnc(Nc3cccc(OC4CC4)c3)n2)cc1
InChIInChI=1S/C17H16N4O/c1-2-6-14(7-3-1)21-12-18-17(20-21)19-13-5-4-8-16(11-13)22-15-9-10-15/h1-8,11-12,15H,9-10H2,(H,19,20)
InChIKeyZJYKDJQCRQZOOP-UHFFFAOYSA-N
XLogP3.55
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 11770857
1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine
CID 134605893
N-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine
CID 134589468
1-(4-fluorophenyl)-N-[3-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-amine
CID 134589955
1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 134589818
N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine
CID 69228289
N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589763
4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine
CID 58883369
3-[(3-cyclopropyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole
CID 166393819
N-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine
CID 134589915
5-methyl-3-N-[1-(oxetan-3-yl)piperidin-4-yl]-1-N-(1-phenyl-1,2,4-triazol-3-yl)benzene-1,3-diamine;molecular hydrogen
CID 160752053
2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 134589899

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine?
The IUPAC name of N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine (CID 134589560) is N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine is c1ccc(-n2cnc(Nc3cccc(OC4CC4)c3)n2)cc1.
What is the InChIKey of N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine?
The InChIKey is ZJYKDJQCRQZOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-2-6-14(7-3-1)21-12-18-17(20-21)19-13-5-4-8-16(11-13)22-15-9-10-15/h1-8,11-12,15H,9-10H2,(H,19,20).
What are the key properties of N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine?
N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine has a molecular weight of 292.34 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 134589560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).