N-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide

C6H6N6O — CID 78980090

IUPACN-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1cn[nH]n1
InChIInChI=1S/C6H6N6O/c13-6(4-3-8-12-10-4)9-5-1-2-7-11-5/h1-3H,(H,8,10,12)(H2,7,9,11,13)
InChIKeyNEBOIPJCNXOPOB-UHFFFAOYSA-N
MW178.16 g/mol
LogP-0.22
Rot. Bonds2

About N-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide

N-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide (PubChem CID 78980090) has the molecular formula C6H6N6O and a molecular weight of 178.16 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide
PubChem CID78980090
Molecular FormulaC6H6N6O
Molecular Weight178.16 g/mol
Exact Mass178.06
IUPAC NameN-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1cn[nH]n1
InChIInChI=1S/C6H6N6O/c13-6(4-3-8-12-10-4)9-5-1-2-7-11-5/h1-3H,(H,8,10,12)(H2,7,9,11,13)
InChIKeyNEBOIPJCNXOPOB-UHFFFAOYSA-N
XLogP-0.22
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 55209020
3-chloro-N-(1H-pyrazol-5-yl)propanamide
CID 61394394
N-(1H-pyrazol-5-yl)benzamide
CID 23298723
2H-triazole-4-carbohydrazide
CID 50989778
N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 47338316
4-(2H-triazole-4-carbonylamino)benzoic acid
CID 62033868
4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide
CID 61394435
5-cyano-N-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 63718471
N-(2-chloropyrimidin-4-yl)-2H-triazole-4-carboxamide
CID 116795222
N-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide
CID 115636783
4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide
CID 61393914
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide
CID 115610204

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide (CID 78980090) is N-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide is O=C(Nc1ccn[nH]1)c1cn[nH]n1.
What is the InChIKey of N-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide?
The InChIKey is NEBOIPJCNXOPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6O/c13-6(4-3-8-12-10-4)9-5-1-2-7-11-5/h1-3H,(H,8,10,12)(H2,7,9,11,13).
What are the key properties of N-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide?
N-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide has a molecular weight of 178.16 g/mol, XLogP of -0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 78980090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).