N-[3-(1,2,4-triazol-1-yl)propyl]pyrazine-2-carboxamide

C10H12N6O — CID 51079280

IUPACN-[3-(1,2,4-triazol-1-yl)propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCn1cncn1)c1cnccn1
InChIInChI=1S/C10H12N6O/c17-10(9-6-11-3-4-13-9)14-2-1-5-16-8-12-7-15-16/h3-4,6-8H,1-2,5H2,(H,14,17)
InChIKeySJQAUIDAUPTCJX-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.11
Rot. Bonds5

About N-[3-(1,2,4-triazol-1-yl)propyl]pyrazine-2-carboxamide

N-[3-(1,2,4-triazol-1-yl)propyl]pyrazine-2-carboxamide (PubChem CID 51079280) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is N-[3-(1,2,4-triazol-1-yl)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,2,4-triazol-1-yl)propyl]pyrazine-2-carboxamide
PubChem CID51079280
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC NameN-[3-(1,2,4-triazol-1-yl)propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCn1cncn1)c1cnccn1
InChIInChI=1S/C10H12N6O/c17-10(9-6-11-3-4-13-9)14-2-1-5-16-8-12-7-15-16/h3-4,6-8H,1-2,5H2,(H,14,17)
InChIKeySJQAUIDAUPTCJX-UHFFFAOYSA-N
XLogP-0.11
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814
6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide
CID 51079304
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-pent-4-ynylpyrazine-2-carboxamide
CID 103709111
5-(4-fluorophenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 24738316
5-(furan-3-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 25164314
N-(3-azidopropyl)pyrazine-2-carboxamide
CID 62199377
N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 110899828
N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide
CID 76953270
1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide
CID 47182500
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,4-triazol-1-yl)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(1,2,4-triazol-1-yl)propyl]pyrazine-2-carboxamide (CID 51079280) is N-[3-(1,2,4-triazol-1-yl)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(1,2,4-triazol-1-yl)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(1,2,4-triazol-1-yl)propyl]pyrazine-2-carboxamide is O=C(NCCCn1cncn1)c1cnccn1.
What is the InChIKey of N-[3-(1,2,4-triazol-1-yl)propyl]pyrazine-2-carboxamide?
The InChIKey is SJQAUIDAUPTCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c17-10(9-6-11-3-4-13-9)14-2-1-5-16-8-12-7-15-16/h3-4,6-8H,1-2,5H2,(H,14,17).
What are the key properties of N-[3-(1,2,4-triazol-1-yl)propyl]pyrazine-2-carboxamide?
N-[3-(1,2,4-triazol-1-yl)propyl]pyrazine-2-carboxamide has a molecular weight of 232.25 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,4-triazol-1-yl)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 51079280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).