1-tert-butyl-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methylpyrazole-3-carboxamide

C17H26N6O — CID 86772442

IUPAC1-tert-butyl-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methylpyrazole-3-carboxamide
SMILESCCc1nnc2n1CC(NC(=O)c1cc(C)n(C(C)(C)C)n1)CC2
InChIInChI=1S/C17H26N6O/c1-6-14-19-20-15-8-7-12(10-22(14)15)18-16(24)13-9-11(2)23(21-13)17(3,4)5/h9,12H,6-8,10H2,1-5H3,(H,18,24)
InChIKeyBDUGLUHPPFNADO-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.85
Rot. Bonds3

About 1-tert-butyl-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methylpyrazole-3-carboxamide

1-tert-butyl-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methylpyrazole-3-carboxamide (PubChem CID 86772442) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-tert-butyl-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methylpyrazole-3-carboxamide
PubChem CID86772442
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-tert-butyl-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methylpyrazole-3-carboxamide
SMILESCCc1nnc2n1CC(NC(=O)c1cc(C)n(C(C)(C)C)n1)CC2
InChIInChI=1S/C17H26N6O/c1-6-14-19-20-15-8-7-12(10-22(14)15)18-16(24)13-9-11(2)23(21-13)17(3,4)5/h9,12H,6-8,10H2,1-5H3,(H,18,24)
InChIKeyBDUGLUHPPFNADO-UHFFFAOYSA-N
XLogP1.85
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methylpyrazole-3-carboxamide (CID 86772442) is 1-tert-butyl-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methylpyrazole-3-carboxamide is CCc1nnc2n1CC(NC(=O)c1cc(C)n(C(C)(C)C)n1)CC2.
What is the InChIKey of 1-tert-butyl-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methylpyrazole-3-carboxamide?
The InChIKey is BDUGLUHPPFNADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-6-14-19-20-15-8-7-12(10-22(14)15)18-16(24)13-9-11(2)23(21-13)17(3,4)5/h9,12H,6-8,10H2,1-5H3,(H,18,24).
What are the key properties of 1-tert-butyl-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methylpyrazole-3-carboxamide?
1-tert-butyl-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methylpyrazole-3-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 86772442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).