4-cyclopropylidene-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine

C13H20N4 — CID 121184292

IUPAC4-cyclopropylidene-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCc1nnc(CN2CCC(=C3CC3)CC2)n1C
InChIInChI=1S/C13H20N4/c1-10-14-15-13(16(10)2)9-17-7-5-12(6-8-17)11-3-4-11/h3-9H2,1-2H3
InChIKeyBVAALKYFMJZEAF-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.81
Rot. Bonds2

About 4-cyclopropylidene-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine

4-cyclopropylidene-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 121184292) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-cyclopropylidene-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-cyclopropylidene-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID121184292
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-cyclopropylidene-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCc1nnc(CN2CCC(=C3CC3)CC2)n1C
InChIInChI=1S/C13H20N4/c1-10-14-15-13(16(10)2)9-17-7-5-12(6-8-17)11-3-4-11/h3-9H2,1-2H3
InChIKeyBVAALKYFMJZEAF-UHFFFAOYSA-N
XLogP1.81
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 55205984
ethyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxylate
CID 155980491
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4,4-diethylazepane
CID 99830650
(3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine
CID 104975402
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 163356129
3-[[3-(difluoromethyl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,2,4-triazole
CID 175647993
2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole
CID 47543592
(1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95322228
1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79310197
(4-chloro-1H-pyrrol-2-yl)-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone
CID 56815832
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 43524751
1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone
CID 167883829

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylidene-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 4-cyclopropylidene-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine (CID 121184292) is 4-cyclopropylidene-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 4-cyclopropylidene-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 4-cyclopropylidene-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine is Cc1nnc(CN2CCC(=C3CC3)CC2)n1C.
What is the InChIKey of 4-cyclopropylidene-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is BVAALKYFMJZEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10-14-15-13(16(10)2)9-17-7-5-12(6-8-17)11-3-4-11/h3-9H2,1-2H3.
What are the key properties of 4-cyclopropylidene-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine?
4-cyclopropylidene-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 232.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylidene-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 121184292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).