N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide

C9H9N5O — CID 584128

IUPACN-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1ncn[nH]1
InChIInChI=1S/C9H9N5O/c15-9(8-12-6-13-14-8)11-5-7-3-1-2-4-10-7/h1-4,6H,5H2,(H,11,15)(H,12,13,14)
InChIKeyWBLWZSASYQJBET-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.13
Rot. Bonds3

About N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide

N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 584128) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID584128
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC NameN-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1ncn[nH]1
InChIInChI=1S/C9H9N5O/c15-9(8-12-6-13-14-8)11-5-7-3-1-2-4-10-7/h1-4,6H,5H2,(H,11,15)(H,12,13,14)
InChIKeyWBLWZSASYQJBET-UHFFFAOYSA-N
XLogP0.13
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (CID 584128) is N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is O=C(NCc1ccccn1)c1ncn[nH]1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is WBLWZSASYQJBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c15-9(8-12-6-13-14-8)11-5-7-3-1-2-4-10-7/h1-4,6H,5H2,(H,11,15)(H,12,13,14).
What are the key properties of N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 203.21 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 584128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).