(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine

C15H15N5 — CID 82203160

IUPAC(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine
SMILESNCc1nnn(Cc2ccccc2)c1-c1ccncc1
InChIInChI=1S/C15H15N5/c16-10-14-15(13-6-8-17-9-7-13)20(19-18-14)11-12-4-2-1-3-5-12/h1-9H,10-11,16H2
InChIKeyNIRDRWGKLYQJOD-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.85
Rot. Bonds4

About (1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine

(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine (PubChem CID 82203160) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is (1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine
PubChem CID82203160
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine
SMILESNCc1nnn(Cc2ccccc2)c1-c1ccncc1
InChIInChI=1S/C15H15N5/c16-10-14-15(13-6-8-17-9-7-13)20(19-18-14)11-12-4-2-1-3-5-12/h1-9H,10-11,16H2
InChIKeyNIRDRWGKLYQJOD-UHFFFAOYSA-N
XLogP1.85
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine?
The IUPAC name of (1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine (CID 82203160) is (1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine.
What is the SMILES notation for (1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine?
The canonical SMILES for (1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine is NCc1nnn(Cc2ccccc2)c1-c1ccncc1.
What is the InChIKey of (1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine?
The InChIKey is NIRDRWGKLYQJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c16-10-14-15(13-6-8-17-9-7-13)20(19-18-14)11-12-4-2-1-3-5-12/h1-9H,10-11,16H2.
What are the key properties of (1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine?
(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine has a molecular weight of 265.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine is sourced from PubChem (CID 82203160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).