N-(6-amino-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide

C8H8N6O — CID 63653831

IUPACN-(6-amino-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1ccc(NC(=O)c2ncn[nH]2)cn1
InChIInChI=1S/C8H8N6O/c9-6-2-1-5(3-10-6)13-8(15)7-11-4-12-14-7/h1-4H,(H2,9,10)(H,13,15)(H,11,12,14)
InChIKeyKFEKMGIBLHVUJU-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.03
Rot. Bonds2

About N-(6-amino-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide

N-(6-amino-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 63653831) has the molecular formula C8H8N6O and a molecular weight of 204.19 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID63653831
Molecular FormulaC8H8N6O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC NameN-(6-amino-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1ccc(NC(=O)c2ncn[nH]2)cn1
InChIInChI=1S/C8H8N6O/c9-6-2-1-5(3-10-6)13-8(15)7-11-4-12-14-7/h1-4H,(H2,9,10)(H,13,15)(H,11,12,14)
InChIKeyKFEKMGIBLHVUJU-UHFFFAOYSA-N
XLogP0.03
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide (CID 63653831) is N-(6-amino-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide is Nc1ccc(NC(=O)c2ncn[nH]2)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is KFEKMGIBLHVUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O/c9-6-2-1-5(3-10-6)13-8(15)7-11-4-12-14-7/h1-4H,(H2,9,10)(H,13,15)(H,11,12,14).
What are the key properties of N-(6-amino-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?
N-(6-amino-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 204.19 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 63653831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).