[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine

C9H11N5 — CID 82468720

IUPAC[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nncn1Cc1ccccn1
InChIInChI=1S/C9H11N5/c10-5-9-13-12-7-14(9)6-8-3-1-2-4-11-8/h1-4,7H,5-6,10H2
InChIKeyPQHISNWONGIKEC-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.18
Rot. Bonds3

About [4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine

[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 82468720) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is [4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID82468720
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nncn1Cc1ccccn1
InChIInChI=1S/C9H11N5/c10-5-9-13-12-7-14(9)6-8-3-1-2-4-11-8/h1-4,7H,5-6,10H2
InChIKeyPQHISNWONGIKEC-UHFFFAOYSA-N
XLogP0.18
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
CID 62949782
2-(4-bromophenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine
CID 23575040
[4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 82472571
ethane;pyridin-2-ylmethanamine
CID 90791011
2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine
CID 129175051
N'-hydroxy-1-(pyridin-2-ylmethyl)pyrrole-2-carboximidamide
CID 114654685
[5-methyl-1-(pyridin-2-ylmethyl)triazol-4-yl]methanamine
CID 82506565
1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile
CID 112595443
2-[(5-phenyltetrazol-2-yl)methyl]pyridine
CID 134010962
2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol
CID 114703272
5-(butanoylamino)-3-(pyridin-2-ylmethyl)imidazole-4-carboxamide
CID 18360581
1-(pyridin-2-ylmethyl)pyrrole-2-carbaldehyde
CID 3791494

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine (CID 82468720) is [4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine is NCc1nncn1Cc1ccccn1.
What is the InChIKey of [4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is PQHISNWONGIKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-5-9-13-12-7-14(9)6-8-3-1-2-4-11-8/h1-4,7H,5-6,10H2.
What are the key properties of [4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 189.22 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82468720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).