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

C18H26N6O2 — CID 91922760

IUPACN-[2-(cyclopropylmethyl)-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)N(C)C2CCc3nn(CC4CC4)c(=O)n3CC2)n1
InChIInChI=1S/C18H26N6O2/c1-13-7-9-22(19-13)12-17(25)21(2)15-5-6-16-20-24(11-14-3-4-14)18(26)23(16)10-8-15/h7,9,14-15H,3-6,8,10-12H2,1-2H3
InChIKeyRHNHCKSQUOYHIW-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.82
Rot. Bonds5

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

N-[2-(cyclopropylmethyl)-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 91922760) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[2-(cyclopropylmethyl)-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethyl)-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID91922760
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[2-(cyclopropylmethyl)-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)N(C)C2CCc3nn(CC4CC4)c(=O)n3CC2)n1
InChIInChI=1S/C18H26N6O2/c1-13-7-9-22(19-13)12-17(25)21(2)15-5-6-16-20-24(11-14-3-4-14)18(26)23(16)10-8-15/h7,9,14-15H,3-6,8,10-12H2,1-2H3
InChIKeyRHNHCKSQUOYHIW-UHFFFAOYSA-N
XLogP0.82
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-(Cyclopropylmethyl)-7-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
CID 91922449
2-{7-Amino-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-A]azepin-2-YL}-N-[(1,3-dimethyl-1H-pyrazol-4-YL)methyl]-N-methylacetamide
CID 91910903
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-methylacetamide
CID 91922728
2-(cyclopropylmethyl)-7-[[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl](methyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
CID 91922739
N-[2-(Cyclopropylmethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-A]azepin-7-YL]-N-methyl-2-(4-methyl-1H-pyrazol-1-YL)acetamide
CID 91922764
2-[(1-Methylpyrazol-3-yl)methyl]-5-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 132116419
(5R)-2-[(1-methylpyrazol-3-yl)methyl]-5-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 176007713
5-butyl-4-ethyl-2-{2-[2-(1-methyl-1H-pyrazol-3-yl)-1-piperidinyl]-2-oxoethyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 70708452
2-(3-butyl-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 70782123
3-(1-(2-(1H-pyrazol-1-yl)acetyl)piperidin-4-yl)-4-cyclopropyl-1-methyl-1H-1,2,4-triazol-5(4H)-one
CID 90540768
1-[4-(Cyclopropylmethyl)-1,4-diazepan-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
CID 91945391
1-[4-(Cyclopropylmethyl)-1,4-diazepan-1-yl]-2-(3-methylpyrazol-1-yl)ethanone
CID 95751389

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethyl)-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[2-(cyclopropylmethyl)-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2-(3-methylpyrazol-1-yl)acetamide (CID 91922760) is N-[2-(cyclopropylmethyl)-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclopropylmethyl)-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclopropylmethyl)-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2-(3-methylpyrazol-1-yl)acetamide is Cc1ccn(CC(=O)N(C)C2CCc3nn(CC4CC4)c(=O)n3CC2)n1.
What is the InChIKey of N-[2-(cyclopropylmethyl)-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is RHNHCKSQUOYHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-13-7-9-22(19-13)12-17(25)21(2)15-5-6-16-20-24(11-14-3-4-14)18(26)23(16)10-8-15/h7,9,14-15H,3-6,8,10-12H2,1-2H3.
What are the key properties of N-[2-(cyclopropylmethyl)-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2-(3-methylpyrazol-1-yl)acetamide?
N-[2-(cyclopropylmethyl)-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 358.45 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethyl)-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 91922760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).