N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide

C9H12N6O — CID 115747889

IUPACN-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCCc1cc(NC(=O)c2ncn[nH]2)n[nH]1
InChIInChI=1S/C9H12N6O/c1-2-3-6-4-7(14-13-6)12-9(16)8-10-5-11-15-8/h4-5H,2-3H2,1H3,(H,10,11,15)(H2,12,13,14,16)
InChIKeyUYZSLTHMSBHWSR-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.73
Rot. Bonds4

About N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide

N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 115747889) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID115747889
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC NameN-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCCc1cc(NC(=O)c2ncn[nH]2)n[nH]1
InChIInChI=1S/C9H12N6O/c1-2-3-6-4-7(14-13-6)12-9(16)8-10-5-11-15-8/h4-5H,2-3H2,1H3,(H,10,11,15)(H2,12,13,14,16)
InChIKeyUYZSLTHMSBHWSR-UHFFFAOYSA-N
XLogP0.73
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 104618246
3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 104617718
2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115647444
2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115778074
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 104616226
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 104616213
1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide
CID 113235417
1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 115621073
4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104619750
4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115686752
2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide
CID 113233981

Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide (CID 115747889) is N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide is CCCc1cc(NC(=O)c2ncn[nH]2)n[nH]1.
What is the InChIKey of N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is UYZSLTHMSBHWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-2-3-6-4-7(14-13-6)12-9(16)8-10-5-11-15-8/h4-5H,2-3H2,1H3,(H,10,11,15)(H2,12,13,14,16).
What are the key properties of N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide?
N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 220.24 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 115747889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).