3-(4-methylpyrazol-1-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide

C15H22N6O — CID 91910771

IUPAC3-(4-methylpyrazol-1-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide
SMILESCc1cnn(CCC(=O)NC2CCc3nnc(C)n3CC2)c1
InChIInChI=1S/C15H22N6O/c1-11-9-16-20(10-11)7-6-15(22)17-13-3-4-14-19-18-12(2)21(14)8-5-13/h9-10,13H,3-8H2,1-2H3,(H,17,22)
InChIKeyUZVCRMJVIAVSFA-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.00
Rot. Bonds4

About 3-(4-methylpyrazol-1-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide

3-(4-methylpyrazol-1-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide (PubChem CID 91910771) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide
PubChem CID91910771
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name3-(4-methylpyrazol-1-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide
SMILESCc1cnn(CCC(=O)NC2CCc3nnc(C)n3CC2)c1
InChIInChI=1S/C15H22N6O/c1-11-9-16-20(10-11)7-6-15(22)17-13-3-4-14-19-18-12(2)21(14)8-5-13/h9-10,13H,3-8H2,1-2H3,(H,17,22)
InChIKeyUZVCRMJVIAVSFA-UHFFFAOYSA-N
XLogP1.00
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-methylpyrazol-1-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide?
The IUPAC name of 3-(4-methylpyrazol-1-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide (CID 91910771) is 3-(4-methylpyrazol-1-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide is Cc1cnn(CCC(=O)NC2CCc3nnc(C)n3CC2)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide?
The InChIKey is UZVCRMJVIAVSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-11-9-16-20(10-11)7-6-15(22)17-13-3-4-14-19-18-12(2)21(14)8-5-13/h9-10,13H,3-8H2,1-2H3,(H,17,22).
What are the key properties of 3-(4-methylpyrazol-1-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide?
3-(4-methylpyrazol-1-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide has a molecular weight of 302.38 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide is sourced from PubChem (CID 91910771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).