N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide

C11H13N5O2 — CID 47339542

IUPACN-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide
SMILESCCCn1cc(NC(=O)c2cn[nH]n2)ccc1=O
InChIInChI=1S/C11H13N5O2/c1-2-5-16-7-8(3-4-10(16)17)13-11(18)9-6-12-15-14-9/h3-4,6-7H,2,5H2,1H3,(H,13,18)(H,12,14,15)
InChIKeyCCQICRUZXKUUNQ-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.63
Rot. Bonds4

About N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide

N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide (PubChem CID 47339542) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide
PubChem CID47339542
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide
SMILESCCCn1cc(NC(=O)c2cn[nH]n2)ccc1=O
InChIInChI=1S/C11H13N5O2/c1-2-5-16-7-8(3-4-10(16)17)13-11(18)9-6-12-15-14-9/h3-4,6-7H,2,5H2,1H3,(H,13,18)(H,12,14,15)
InChIKeyCCQICRUZXKUUNQ-UHFFFAOYSA-N
XLogP0.63
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide (CID 47339542) is N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide is CCCn1cc(NC(=O)c2cn[nH]n2)ccc1=O.
What is the InChIKey of N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide?
The InChIKey is CCQICRUZXKUUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-2-5-16-7-8(3-4-10(16)17)13-11(18)9-6-12-15-14-9/h3-4,6-7H,2,5H2,1H3,(H,13,18)(H,12,14,15).
What are the key properties of N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide?
N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide has a molecular weight of 247.26 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 47339542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).