4-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine

C11H18N4 — CID 79211139

IUPAC4-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCCCn1c(C)nnc1C1C=CC(N)C1
InChIInChI=1S/C11H18N4/c1-3-6-15-8(2)13-14-11(15)9-4-5-10(12)7-9/h4-5,9-10H,3,6-7,12H2,1-2H3
InChIKeyPQIGMWWYIWASGA-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.37
Rot. Bonds3

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

4-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (PubChem CID 79211139) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
PubChem CID79211139
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCCCn1c(C)nnc1C1C=CC(N)C1
InChIInChI=1S/C11H18N4/c1-3-6-15-8(2)13-14-11(15)9-4-5-10(12)7-9/h4-5,9-10H,3,6-7,12H2,1-2H3
InChIKeyPQIGMWWYIWASGA-UHFFFAOYSA-N
XLogP1.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.37
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

4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopent-2-en-1-amine
CID 79207463
3,4-dimethyl-5-[(E,1Z)-1-(2-methyl-1,2-dihydropyrrol-3-ylidene)but-2-en-2-yl]-1,2,4-triazole
CID 142140854
(5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine
CID 143782091
ethane;ethene;3-methyl-6-(piperazin-1-ylmethyl)-5-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 144492242
6-(3-pentan-2-yl-5-propan-2-yl-1,2,4-triazol-4-yl)-2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine
CID 163933016
4-[3-(3-Bicyclo[4.1.0]hepta-2,4-dienyl)-5-methyl-1,2,4-triazol-4-yl]piperidine
CID 164006527
N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702877
N-(cyclohex-3-en-1-ylmethyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine
CID 43746915
N-(cyclohex-3-en-1-ylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 43748037
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43783876
1-cyclohex-3-en-1-yl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 61951129
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329075

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (CID 79211139) is 4-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is CCCn1c(C)nnc1C1C=CC(N)C1.
What is the InChIKey of 4-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The InChIKey is PQIGMWWYIWASGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-3-6-15-8(2)13-14-11(15)9-4-5-10(12)7-9/h4-5,9-10H,3,6-7,12H2,1-2H3.
What are the key properties of 4-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
4-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine has a molecular weight of 206.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 79211139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).