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

C19H28N6O — CID 91910749

IUPACN-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC1CCc2nnc(C3CC3)n2CC1
InChIInChI=1S/C19H28N6O/c1-12-16(13(2)24(3)23-12)7-9-18(26)20-15-6-8-17-21-22-19(14-4-5-14)25(17)11-10-15/h14-15H,4-11H2,1-3H3,(H,20,26)
InChIKeyQRVLATCDLLQYDG-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.96
Rot. Bonds5

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

N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 91910749) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID91910749
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC1CCc2nnc(C3CC3)n2CC1
InChIInChI=1S/C19H28N6O/c1-12-16(13(2)24(3)23-12)7-9-18(26)20-15-6-8-17-21-22-19(14-4-5-14)25(17)11-10-15/h14-15H,4-11H2,1-3H3,(H,20,26)
InChIKeyQRVLATCDLLQYDG-UHFFFAOYSA-N
XLogP1.96
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 91910749) is N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NC1CCc2nnc(C3CC3)n2CC1.
What is the InChIKey of N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is QRVLATCDLLQYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-12-16(13(2)24(3)23-12)7-9-18(26)20-15-6-8-17-21-22-19(14-4-5-14)25(17)11-10-15/h14-15H,4-11H2,1-3H3,(H,20,26).
What are the key properties of N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 356.47 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 91910749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).