4-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine

C12H20N4 — CID 115277809

IUPAC4-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine
SMILESCC(C)Cc1nc(C2C=CC(N)C2)n(C)n1
InChIInChI=1S/C12H20N4/c1-8(2)6-11-14-12(16(3)15-11)9-4-5-10(13)7-9/h4-5,8-10H,6-7,13H2,1-3H3
InChIKeyFWNJDDCSODNLLW-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.38
Rot. Bonds3

About 4-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine

4-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine (PubChem CID 115277809) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine
PubChem CID115277809
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine
SMILESCC(C)Cc1nc(C2C=CC(N)C2)n(C)n1
InChIInChI=1S/C12H20N4/c1-8(2)6-11-14-12(16(3)15-11)9-4-5-10(13)7-9/h4-5,8-10H,6-7,13H2,1-3H3
InChIKeyFWNJDDCSODNLLW-UHFFFAOYSA-N
XLogP1.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-Methylpropyl)-5-[2-(2,3,5-trimethyl-3,4-dihydropyrazol-4-yl)ethyl]-1,2,4-triazol-1-yl]-2,3-dihydropyridine
CID 68030237
2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine
CID 70433566
2,8-Dimethyl-5,9-dihydro-[1,2,4]triazolo[1,5-a]azepin-8-amine
CID 91513834
4-[3-(Cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine
CID 142910498
4-[2-[(6E)-7-chloro-6-methylocta-1,4,6-trien-3-yl]-5-methyl-1,2,4-triazol-3-yl]azepane
CID 144294670
1-but-3-en-2-yl-N-methyl-3,5-bis(2-methylpropyl)-1,2,4-triazol-1-ium-4-amine
CID 153766665
4-methyl-2-[5-[(Z)-pent-2-en-2-yl]-1,2,4-triazol-1-yl]pentan-2-amine
CID 167217300
N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702877
1-cyclohex-3-en-1-yl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 65600673
1-cyclohex-3-en-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
CID 65607839
1-cyclohex-3-en-1-yl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]methanamine
CID 65607840
1-cyclohex-3-en-1-yl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 65608035

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine (CID 115277809) is 4-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine is CC(C)Cc1nc(C2C=CC(N)C2)n(C)n1.
What is the InChIKey of 4-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine?
The InChIKey is FWNJDDCSODNLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8(2)6-11-14-12(16(3)15-11)9-4-5-10(13)7-9/h4-5,8-10H,6-7,13H2,1-3H3.
What are the key properties of 4-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine?
4-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine has a molecular weight of 220.32 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine is sourced from PubChem (CID 115277809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).