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

C8H9N5 — CID 52943064

IUPAC(1-pyridin-4-yltriazol-4-yl)methanamine
SMILESNCc1cn(-c2ccncc2)nn1
InChIInChI=1S/C8H9N5/c9-5-7-6-13(12-11-7)8-1-3-10-4-2-8/h1-4,6H,5,9H2
InChIKeyWOLBYFCROKOTCH-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.12
Rot. Bonds2

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

(1-pyridin-4-yltriazol-4-yl)methanamine (PubChem CID 52943064) has the molecular formula C8H9N5 and a molecular weight of 175.20 g/mol. Its IUPAC name is (1-pyridin-4-yltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-pyridin-4-yltriazol-4-yl)methanamine
PubChem CID52943064
Molecular FormulaC8H9N5
Molecular Weight175.20 g/mol
Exact Mass175.09
IUPAC Name(1-pyridin-4-yltriazol-4-yl)methanamine
SMILESNCc1cn(-c2ccncc2)nn1
InChIInChI=1S/C8H9N5/c9-5-7-6-13(12-11-7)8-1-3-10-4-2-8/h1-4,6H,5,9H2
InChIKeyWOLBYFCROKOTCH-UHFFFAOYSA-N
XLogP0.12
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-pyridin-4-yltriazol-4-yl)methanamine?
The IUPAC name of (1-pyridin-4-yltriazol-4-yl)methanamine (CID 52943064) is (1-pyridin-4-yltriazol-4-yl)methanamine.
What is the SMILES notation for (1-pyridin-4-yltriazol-4-yl)methanamine?
The canonical SMILES for (1-pyridin-4-yltriazol-4-yl)methanamine is NCc1cn(-c2ccncc2)nn1.
What is the InChIKey of (1-pyridin-4-yltriazol-4-yl)methanamine?
The InChIKey is WOLBYFCROKOTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c9-5-7-6-13(12-11-7)8-1-3-10-4-2-8/h1-4,6H,5,9H2.
What are the key properties of (1-pyridin-4-yltriazol-4-yl)methanamine?
(1-pyridin-4-yltriazol-4-yl)methanamine has a molecular weight of 175.20 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-4-yltriazol-4-yl)methanamine is sourced from PubChem (CID 52943064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).