3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine

C7H11ClN4 — CID 84660806

IUPAC3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine
SMILESClc1n[nH]c(C2CCCNC2)n1
InChIInChI=1S/C7H11ClN4/c8-7-10-6(11-12-7)5-2-1-3-9-4-5/h5,9H,1-4H2,(H,10,11,12)
InChIKeyCKVHKFMBDHHAEF-UHFFFAOYSA-N
MW186.65 g/mol
LogP0.93
Rot. Bonds1

About 3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine

3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 84660806) has the molecular formula C7H11ClN4 and a molecular weight of 186.65 g/mol. Its IUPAC name is 3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine
PubChem CID84660806
Molecular FormulaC7H11ClN4
Molecular Weight186.65 g/mol
Exact Mass186.07
IUPAC Name3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine
SMILESClc1n[nH]c(C2CCCNC2)n1
InChIInChI=1S/C7H11ClN4/c8-7-10-6(11-12-7)5-2-1-3-9-4-5/h5,9H,1-4H2,(H,10,11,12)
InChIKeyCKVHKFMBDHHAEF-UHFFFAOYSA-N
XLogP0.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.65
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(trichloromethyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 82569188
3-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 82569184
3-chloro-5-(oxan-4-yl)-1H-1,2,4-triazole
CID 65334530
3-chloro-5-(4-ethylcyclohexyl)-1H-1,2,4-triazole
CID 65390752
3-(1H-1,2,4-triazol-5-yl)piperidine
CID 57004215
3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine
CID 43650978
3-[2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)propan-2-yl]piperidine
CID 83200320
3-[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 105492309
2-piperidin-3-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole
CID 115018775
3-(1H-imidazol-2-yl)piperidine
CID 13281195
2,4-di(piperidin-3-yl)-1,3-oxazole
CID 115040991
2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole
CID 115048783

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine (CID 84660806) is 3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine is Clc1n[nH]c(C2CCCNC2)n1.
What is the InChIKey of 3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is CKVHKFMBDHHAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4/c8-7-10-6(11-12-7)5-2-1-3-9-4-5/h5,9H,1-4H2,(H,10,11,12).
What are the key properties of 3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine?
3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 186.65 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 84660806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).