N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C19H24ClN5O — CID 128688074

IUPACN-[[1-(3-chlorophenyl)cyclohexyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESO=C(NCC1(c2cccc(Cl)c2)CCCCC1)N1CCn2cnnc2C1
InChIInChI=1S/C19H24ClN5O/c20-16-6-4-5-15(11-16)19(7-2-1-3-8-19)13-21-18(26)24-9-10-25-14-22-23-17(25)12-24/h4-6,11,14H,1-3,7-10,12-13H2,(H,21,26)
InChIKeyDRMNGDJOSZFPDI-UHFFFAOYSA-N
MW373.89 g/mol
LogP3.36
Rot. Bonds3

About N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 128688074) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)cyclohexyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID128688074
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC NameN-[[1-(3-chlorophenyl)cyclohexyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESO=C(NCC1(c2cccc(Cl)c2)CCCCC1)N1CCn2cnnc2C1
InChIInChI=1S/C19H24ClN5O/c20-16-6-4-5-15(11-16)19(7-2-1-3-8-19)13-21-18(26)24-9-10-25-14-22-23-17(25)12-24/h4-6,11,14H,1-3,7-10,12-13H2,(H,21,26)
InChIKeyDRMNGDJOSZFPDI-UHFFFAOYSA-N
XLogP3.36
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide 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

7-[4-(Aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 70295927
[1-(3-chlorophenyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine
CID 70296823
2-(3-chlorophenyl)-N-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-methylpropanamide
CID 72008495
1-[1-(4-Chlorophenyl)propan-2-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
CID 45827921
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 53499546
1-[[1-(4-Chlorophenyl)cyclopropyl]methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53603855
2-(3-chlorophenyl)-2-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propanamide
CID 71983096
N-{[3-(3-chlorobenzyl)-1-(1-methylpiperidin-4-yl)-1H-1,2,4-triazol-5-yl]methyl}acetamide
CID 72914439
1-[1-(3-Chlorophenyl)propan-2-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 75374777
N-[2-(4-cyclohexylphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide
CID 132326118
tert-butyl N-[[1-(3-chlorophenyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methyl]carbamate
CID 69094906
[1-(3-chlorophenyl)-4-[8-ethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine
CID 70293729

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 128688074) is N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is O=C(NCC1(c2cccc(Cl)c2)CCCCC1)N1CCn2cnnc2C1.
What is the InChIKey of N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is DRMNGDJOSZFPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c20-16-6-4-5-15(11-16)19(7-2-1-3-8-19)13-21-18(26)24-9-10-25-14-22-23-17(25)12-24/h4-6,11,14H,1-3,7-10,12-13H2,(H,21,26).
What are the key properties of N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 373.89 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 128688074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).