N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide

C21H23N5O2 — CID 125445203

IUPACN-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide
SMILESCc1nn2c(=O)[nH]ncc2c1-c1cccc(C(=O)N[C@@H](C)C2=CCCCC2)c1
InChIInChI=1S/C21H23N5O2/c1-13(15-7-4-3-5-8-15)23-20(27)17-10-6-9-16(11-17)19-14(2)25-26-18(19)12-22-24-21(26)28/h6-7,9-13H,3-5,8H2,1-2H3,(H,23,27)(H,24,28)/t13-/m0/s1
InChIKeyHTJRPMPUKRUHOR-ZDUSSCGKSA-N
MW377.45 g/mol
LogP3.01
Rot. Bonds4

About N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide

N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide (PubChem CID 125445203) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide
PubChem CID125445203
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide
SMILESCc1nn2c(=O)[nH]ncc2c1-c1cccc(C(=O)N[C@@H](C)C2=CCCCC2)c1
InChIInChI=1S/C21H23N5O2/c1-13(15-7-4-3-5-8-15)23-20(27)17-10-6-9-16(11-17)19-14(2)25-26-18(19)12-22-24-21(26)28/h6-7,9-13H,3-5,8H2,1-2H3,(H,23,27)(H,24,28)/t13-/m0/s1
InChIKeyHTJRPMPUKRUHOR-ZDUSSCGKSA-N
XLogP3.01
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide
CID 118765933
2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide
CID 126454314
N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 131912358
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 97194553
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 99927276
N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide
CID 131890483
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95882818
6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 126439353
methyl 4-[3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]phenyl]-1H-pyrrole-2-carboxylate
CID 122562398
2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131902997
N-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108802
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 125175923

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide?
The IUPAC name of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide (CID 125445203) is N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide.
What is the SMILES notation for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide?
The canonical SMILES for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide is Cc1nn2c(=O)[nH]ncc2c1-c1cccc(C(=O)N[C@@H](C)C2=CCCCC2)c1.
What is the InChIKey of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide?
The InChIKey is HTJRPMPUKRUHOR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13(15-7-4-3-5-8-15)23-20(27)17-10-6-9-16(11-17)19-14(2)25-26-18(19)12-22-24-21(26)28/h6-7,9-13H,3-5,8H2,1-2H3,(H,23,27)(H,24,28)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide?
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide has a molecular weight of 377.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide is sourced from PubChem (CID 125445203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).