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

C11H16N4 — CID 115277807

IUPAC4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCn1nc(C2CC2)nc1C1C=CC(N)C1
InChIInChI=1S/C11H16N4/c1-15-11(8-4-5-9(12)6-8)13-10(14-15)7-2-3-7/h4-5,7-9H,2-3,6,12H2,1H3
InChIKeyYTAKNGWYXPTDBG-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.06
Rot. Bonds2

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

4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (PubChem CID 115277807) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
PubChem CID115277807
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCn1nc(C2CC2)nc1C1C=CC(N)C1
InChIInChI=1S/C11H16N4/c1-15-11(8-4-5-9(12)6-8)13-10(14-15)7-2-3-7/h4-5,7-9H,2-3,6,12H2,1H3
InChIKeyYTAKNGWYXPTDBG-UHFFFAOYSA-N
XLogP1.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.06
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

5-[(1S)-cyclohex-3-en-1-yl]-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole
CID 129615629
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
3-cyclopropyl-5-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1-methylpyrrolidin-3-yl]-1-propan-2-yl-1,2,4-triazole
CID 156101122
1-cyclohex-3-en-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
CID 65607839
3-[(2-Methyl-1,2,4-triazol-3-yl)methyl]cyclopent-2-en-1-amine
CID 65614409
3-[[2-(2-Methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclohex-2-en-1-amine
CID 65617609
5,5-Dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclohex-2-en-1-amine
CID 65617810
3-[(2-Propyl-1,2,4-triazol-3-yl)methyl]cyclopent-2-en-1-amine
CID 65618009
3-[(2-Ethyl-1,2,4-triazol-3-yl)methyl]cyclopent-2-en-1-amine
CID 65618010
3-[(2-Propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopent-2-en-1-amine
CID 65618011

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (CID 115277807) is 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is Cn1nc(C2CC2)nc1C1C=CC(N)C1.
What is the InChIKey of 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The InChIKey is YTAKNGWYXPTDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-15-11(8-4-5-9(12)6-8)13-10(14-15)7-2-3-7/h4-5,7-9H,2-3,6,12H2,1H3.
What are the key properties of 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine has a molecular weight of 204.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 115277807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).