3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C17H26N6O — CID 75386997

IUPAC3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCC(NC(=O)C1CCc2nnc(C)n2C1)c1c(C)nn(C)c1C
InChIInChI=1S/C17H26N6O/c1-6-14(16-10(2)21-22(5)11(16)3)18-17(24)13-7-8-15-20-19-12(4)23(15)9-13/h13-14H,6-9H2,1-5H3,(H,18,24)
InChIKeyXURRBJCXFCKNLI-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.77
Rot. Bonds4

About 3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 75386997) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID75386997
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCC(NC(=O)C1CCc2nnc(C)n2C1)c1c(C)nn(C)c1C
InChIInChI=1S/C17H26N6O/c1-6-14(16-10(2)21-22(5)11(16)3)18-17(24)13-7-8-15-20-19-12(4)23(15)9-13/h13-14H,6-9H2,1-5H3,(H,18,24)
InChIKeyXURRBJCXFCKNLI-UHFFFAOYSA-N
XLogP1.77
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 75386997) is 3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CCC(NC(=O)C1CCc2nnc(C)n2C1)c1c(C)nn(C)c1C.
What is the InChIKey of 3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is XURRBJCXFCKNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-6-14(16-10(2)21-22(5)11(16)3)18-17(24)13-7-8-15-20-19-12(4)23(15)9-13/h13-14H,6-9H2,1-5H3,(H,18,24).
What are the key properties of 3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 75386997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).