3-benzyl-5-phenyltriazol-4-amine

C15H14N4 — CID 827454

IUPAC3-benzyl-5-phenyltriazol-4-amine
SMILESNc1c(-c2ccccc2)nnn1Cc1ccccc1
InChIInChI=1S/C15H14N4/c16-15-14(13-9-5-2-6-10-13)17-18-19(15)11-12-7-3-1-4-8-12/h1-10H,11,16H2
InChIKeyJTJNNNCLXPPMNC-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.58
Rot. Bonds3

About 3-benzyl-5-phenyltriazol-4-amine

3-benzyl-5-phenyltriazol-4-amine (PubChem CID 827454) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-benzyl-5-phenyltriazol-4-amine.

Molecular Properties

Compound Name3-benzyl-5-phenyltriazol-4-amine
PubChem CID827454
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name3-benzyl-5-phenyltriazol-4-amine
SMILESNc1c(-c2ccccc2)nnn1Cc1ccccc1
InChIInChI=1S/C15H14N4/c16-15-14(13-9-5-2-6-10-13)17-18-19(15)11-12-7-3-1-4-8-12/h1-10H,11,16H2
InChIKeyJTJNNNCLXPPMNC-UHFFFAOYSA-N
XLogP2.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-phenyltriazol-4-amine?
The IUPAC name of 3-benzyl-5-phenyltriazol-4-amine (CID 827454) is 3-benzyl-5-phenyltriazol-4-amine.
What is the SMILES notation for 3-benzyl-5-phenyltriazol-4-amine?
The canonical SMILES for 3-benzyl-5-phenyltriazol-4-amine is Nc1c(-c2ccccc2)nnn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-phenyltriazol-4-amine?
The InChIKey is JTJNNNCLXPPMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-15-14(13-9-5-2-6-10-13)17-18-19(15)11-12-7-3-1-4-8-12/h1-10H,11,16H2.
What are the key properties of 3-benzyl-5-phenyltriazol-4-amine?
3-benzyl-5-phenyltriazol-4-amine has a molecular weight of 250.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-phenyltriazol-4-amine is sourced from PubChem (CID 827454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).