3-[cyclopentyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexa-1,3-dien-1-amine

C15H22N4 — CID 178119396

IUPAC3-[cyclopentyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexa-1,3-dien-1-amine
SMILESCn1cnnc1C(C1=CCCC(N)=C1)C1CCCC1
InChIInChI=1S/C15H22N4/c1-19-10-17-18-15(19)14(11-5-2-3-6-11)12-7-4-8-13(16)9-12/h7,9-11,14H,2-6,8,16H2,1H3
InChIKeyGKKLTCQUHYBXEY-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.65
Rot. Bonds3

About 3-[cyclopentyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexa-1,3-dien-1-amine

3-[cyclopentyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexa-1,3-dien-1-amine (PubChem CID 178119396) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-[cyclopentyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3-[cyclopentyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexa-1,3-dien-1-amine
PubChem CID178119396
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name3-[cyclopentyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexa-1,3-dien-1-amine
SMILESCn1cnnc1C(C1=CCCC(N)=C1)C1CCCC1
InChIInChI=1S/C15H22N4/c1-19-10-17-18-15(19)14(11-5-2-3-6-11)12-7-4-8-13(16)9-12/h7,9-11,14H,2-6,8,16H2,1H3
InChIKeyGKKLTCQUHYBXEY-UHFFFAOYSA-N
XLogP2.65
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1,2-Difluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]cyclohexa-1,5-dien-1-amine
CID 171510571
(3E)-4-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]hexa-1,3,5-trien-2-amine
CID 166078807
(3E)-4-[3-ethyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]hexa-1,3,5-trien-2-amine
CID 166079065
(3E)-4-[2-cyclobutyl-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexa-1,3,5-trien-2-amine
CID 166080004
3-[Cyclopentyl-(5-nitrocyclohexa-1,5-dien-1-yl)methyl]-4-methyl-1,2,4-triazole
CID 178118611
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63332635
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 103276787
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 113797385

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of 3-[cyclopentyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexa-1,3-dien-1-amine (CID 178119396) is 3-[cyclopentyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3-[cyclopentyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3-[cyclopentyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexa-1,3-dien-1-amine is Cn1cnnc1C(C1=CCCC(N)=C1)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexa-1,3-dien-1-amine?
The InChIKey is GKKLTCQUHYBXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-19-10-17-18-15(19)14(11-5-2-3-6-11)12-7-4-8-13(16)9-12/h7,9-11,14H,2-6,8,16H2,1H3.
What are the key properties of 3-[cyclopentyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexa-1,3-dien-1-amine?
3-[cyclopentyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexa-1,3-dien-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 178119396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).