1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine

C11H14N4 — CID 4913132

IUPAC1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESNC(CCn1cncn1)c1ccccc1
InChIInChI=1S/C11H14N4/c12-11(10-4-2-1-3-5-10)6-7-15-9-13-8-14-15/h1-5,8-9,11H,6-7,12H2
InChIKeyIJAOJMXDYLVVDI-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.37
Rot. Bonds4

About 1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine

1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine (PubChem CID 4913132) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine
PubChem CID4913132
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESNC(CCn1cncn1)c1ccccc1
InChIInChI=1S/C11H14N4/c12-11(10-4-2-1-3-5-10)6-7-15-9-13-8-14-15/h1-5,8-9,11H,6-7,12H2
InChIKeyIJAOJMXDYLVVDI-UHFFFAOYSA-N
XLogP1.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 80506321
2-phenyl-4-(1,2,4-triazol-1-yl)butanoate
CID 19095984
N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63120307
(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
CID 51669163
3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 43211205
2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 90652831
2-phenyl-3-(1,2,4-triazol-1-yl)propanoic acid
CID 63073894
2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one
CID 174783039
2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 99999473
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 99974724
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96575326
4-hydroxy-3-phenyl-1-(1,2,4-triazol-1-yl)butan-2-one
CID 10977307

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The IUPAC name of 1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine (CID 4913132) is 1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine.
What is the SMILES notation for 1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The canonical SMILES for 1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine is NC(CCn1cncn1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The InChIKey is IJAOJMXDYLVVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c12-11(10-4-2-1-3-5-10)6-7-15-9-13-8-14-15/h1-5,8-9,11H,6-7,12H2.
What are the key properties of 1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine has a molecular weight of 202.26 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine is sourced from PubChem (CID 4913132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).