5-(anilinomethyl)-4-phenyltriazol-1-amine

C15H15N5 — CID 10659350

IUPAC5-(anilinomethyl)-4-phenyltriazol-1-amine
SMILESNn1nnc(-c2ccccc2)c1CNc1ccccc1
InChIInChI=1S/C15H15N5/c16-20-14(11-17-13-9-5-2-6-10-13)15(18-19-20)12-7-3-1-4-8-12/h1-10,17H,11,16H2
InChIKeyIODCHQNKKVLNJZ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.27
Rot. Bonds4

About 5-(anilinomethyl)-4-phenyltriazol-1-amine

5-(anilinomethyl)-4-phenyltriazol-1-amine (PubChem CID 10659350) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-(anilinomethyl)-4-phenyltriazol-1-amine.

Molecular Properties

Compound Name5-(anilinomethyl)-4-phenyltriazol-1-amine
PubChem CID10659350
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name5-(anilinomethyl)-4-phenyltriazol-1-amine
SMILESNn1nnc(-c2ccccc2)c1CNc1ccccc1
InChIInChI=1S/C15H15N5/c16-20-14(11-17-13-9-5-2-6-10-13)15(18-19-20)12-7-3-1-4-8-12/h1-10,17H,11,16H2
InChIKeyIODCHQNKKVLNJZ-UHFFFAOYSA-N
XLogP2.27
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(anilinomethyl)-4-phenyltriazol-1-amine?
The IUPAC name of 5-(anilinomethyl)-4-phenyltriazol-1-amine (CID 10659350) is 5-(anilinomethyl)-4-phenyltriazol-1-amine.
What is the SMILES notation for 5-(anilinomethyl)-4-phenyltriazol-1-amine?
The canonical SMILES for 5-(anilinomethyl)-4-phenyltriazol-1-amine is Nn1nnc(-c2ccccc2)c1CNc1ccccc1.
What is the InChIKey of 5-(anilinomethyl)-4-phenyltriazol-1-amine?
The InChIKey is IODCHQNKKVLNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c16-20-14(11-17-13-9-5-2-6-10-13)15(18-19-20)12-7-3-1-4-8-12/h1-10,17H,11,16H2.
What are the key properties of 5-(anilinomethyl)-4-phenyltriazol-1-amine?
5-(anilinomethyl)-4-phenyltriazol-1-amine has a molecular weight of 265.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(anilinomethyl)-4-phenyltriazol-1-amine is sourced from PubChem (CID 10659350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).