7-(cyclohexylmethyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C18H24N4 — CID 134788201

IUPAC7-(cyclohexylmethyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc(-c2nnc3n2CCN(CC2CCCCC2)C3)cc1
InChIInChI=1S/C18H24N4/c1-3-7-15(8-4-1)13-21-11-12-22-17(14-21)19-20-18(22)16-9-5-2-6-10-16/h2,5-6,9-10,15H,1,3-4,7-8,11-14H2
InChIKeyBQCLMJCFNFFJOR-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.34
Rot. Bonds3

About 7-(cyclohexylmethyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-(cyclohexylmethyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134788201) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134788201
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name7-(cyclohexylmethyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc(-c2nnc3n2CCN(CC2CCCCC2)C3)cc1
InChIInChI=1S/C18H24N4/c1-3-7-15(8-4-1)13-21-11-12-22-17(14-21)19-20-18(22)16-9-5-2-6-10-16/h2,5-6,9-10,15H,1,3-4,7-8,11-14H2
InChIKeyBQCLMJCFNFFJOR-UHFFFAOYSA-N
XLogP3.34
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Benzyl-5-phenyl-1,2,4-triazol-3-amine
CID 15563296
1-Benzyl-3,5-diphenyl-1,2,4-triazole
CID 856237
3-Phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 1478281
1-[[5-(4-Tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperidine
CID 154929621
1-Benzyl-4-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperazine
CID 154929628
4-Benzyl-1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperidine
CID 154929673
1-[[5-(4-Tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-(2-phenylethyl)piperazine
CID 154929675
5-(4-Cyclohexylphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
CID 154929720
1-Methyl-5-(4-propan-2-ylphenyl)-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
CID 154929730
1-Methyl-5-(3-phenylphenyl)-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
CID 154929738
1-[[5-(4-Tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine
CID 154929877
1-Methyl-5-(4-phenylphenyl)-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
CID 162644304

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(cyclohexylmethyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 134788201) is 7-(cyclohexylmethyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(cyclohexylmethyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(cyclohexylmethyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is c1ccc(-c2nnc3n2CCN(CC2CCCCC2)C3)cc1.
What is the InChIKey of 7-(cyclohexylmethyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is BQCLMJCFNFFJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-3-7-15(8-4-1)13-21-11-12-22-17(14-21)19-20-18(22)16-9-5-2-6-10-16/h2,5-6,9-10,15H,1,3-4,7-8,11-14H2.
What are the key properties of 7-(cyclohexylmethyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(cyclohexylmethyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 296.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134788201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).