N-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

C21H25N5O2 — CID 20953606

IUPACN-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCCCCC2)c(=O)c2cc(-c3ccccc3)nn12
InChIInChI=1S/C21H25N5O2/c1-15-23-25(14-20(27)22-17-11-7-2-3-8-12-17)21(28)19-13-18(24-26(15)19)16-9-5-4-6-10-16/h4-6,9-10,13,17H,2-3,7-8,11-12,14H2,1H3,(H,22,27)
InChIKeyXBCXAFJCJUHYJB-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.71
Rot. Bonds4

About N-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

N-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (PubChem CID 20953606) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
PubChem CID20953606
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCCCCC2)c(=O)c2cc(-c3ccccc3)nn12
InChIInChI=1S/C21H25N5O2/c1-15-23-25(14-20(27)22-17-11-7-2-3-8-12-17)21(28)19-13-18(24-26(15)19)16-9-5-4-6-10-16/h4-6,9-10,13,17H,2-3,7-8,11-12,14H2,1H3,(H,22,27)
InChIKeyXBCXAFJCJUHYJB-UHFFFAOYSA-N
XLogP2.71
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-propylacetamide
CID 20953619
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 92678847
N-cyclopentyl-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 50795598
2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide
CID 20953634
N-cycloheptyl-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513133
N-[2-(cyclohexen-1-yl)ethyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953640
N-[(2-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953660
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 129418396
N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223
N-[2-(4-chlorophenyl)ethyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953605
3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 4963609

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (CID 20953606) is N-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is Cc1nn(CC(=O)NC2CCCCCC2)c(=O)c2cc(-c3ccccc3)nn12.
What is the InChIKey of N-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The InChIKey is XBCXAFJCJUHYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15-23-25(14-20(27)22-17-11-7-2-3-8-12-17)21(28)19-13-18(24-26(15)19)16-9-5-4-6-10-16/h4-6,9-10,13,17H,2-3,7-8,11-12,14H2,1H3,(H,22,27).
What are the key properties of N-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
N-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is sourced from PubChem (CID 20953606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).