N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide

C12H18N6O — CID 46989908

IUPACN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)c1ncn[nH]1
InChIInChI=1S/C12H18N6O/c1-4-9(5-2)18-10(6-8(3)17-18)15-12(19)11-13-7-14-16-11/h6-7,9H,4-5H2,1-3H3,(H,15,19)(H,13,14,16)
InChIKeyKRPIWSIONKGTSG-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.92
Rot. Bonds5

About N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide

N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 46989908) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID46989908
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)c1ncn[nH]1
InChIInChI=1S/C12H18N6O/c1-4-9(5-2)18-10(6-8(3)17-18)15-12(19)11-13-7-14-16-11/h6-7,9H,4-5H2,1-3H3,(H,15,19)(H,13,14,16)
InChIKeyKRPIWSIONKGTSG-UHFFFAOYSA-N
XLogP1.92
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide (CID 46989908) is N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide is CCC(CC)n1nc(C)cc1NC(=O)c1ncn[nH]1.
What is the InChIKey of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is KRPIWSIONKGTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-9(5-2)18-10(6-8(3)17-18)15-12(19)11-13-7-14-16-11/h6-7,9H,4-5H2,1-3H3,(H,15,19)(H,13,14,16).
What are the key properties of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide?
N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 46989908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).