3-tert-butyl-N-(cyclobutylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C16H26N4O — CID 155961509

IUPAC3-tert-butyl-N-(cyclobutylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)(C)c1nnc2n1CC(C(=O)NCC1CCC1)CC2
InChIInChI=1S/C16H26N4O/c1-16(2,3)15-19-18-13-8-7-12(10-20(13)15)14(21)17-9-11-5-4-6-11/h11-12H,4-10H2,1-3H3,(H,17,21)
InChIKeyZKOZULVYQCDMQS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.05
Rot. Bonds3

About 3-tert-butyl-N-(cyclobutylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-tert-butyl-N-(cyclobutylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 155961509) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-tert-butyl-N-(cyclobutylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(cyclobutylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID155961509
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-tert-butyl-N-(cyclobutylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)(C)c1nnc2n1CC(C(=O)NCC1CCC1)CC2
InChIInChI=1S/C16H26N4O/c1-16(2,3)15-19-18-13-8-7-12(10-20(13)15)14(21)17-9-11-5-4-6-11/h11-12H,4-10H2,1-3H3,(H,17,21)
InChIKeyZKOZULVYQCDMQS-UHFFFAOYSA-N
XLogP2.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(cyclobutylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-tert-butyl-N-(cyclobutylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 155961509) is 3-tert-butyl-N-(cyclobutylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(cyclobutylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(cyclobutylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(C)(C)c1nnc2n1CC(C(=O)NCC1CCC1)CC2.
What is the InChIKey of 3-tert-butyl-N-(cyclobutylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is ZKOZULVYQCDMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-16(2,3)15-19-18-13-8-7-12(10-20(13)15)14(21)17-9-11-5-4-6-11/h11-12H,4-10H2,1-3H3,(H,17,21).
What are the key properties of 3-tert-butyl-N-(cyclobutylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-tert-butyl-N-(cyclobutylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(cyclobutylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 155961509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).