3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine

C10H16N4 — CID 50988270

IUPAC3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine
SMILESc1nnc(C2CCCNC2)n1C1CC1
InChIInChI=1S/C10H16N4/c1-2-8(6-11-5-1)10-13-12-7-14(10)9-3-4-9/h7-9,11H,1-6H2
InChIKeyQVGLYLGPFQJIBB-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.08
Rot. Bonds2

About 3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine

3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 50988270) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine
PubChem CID50988270
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine
SMILESc1nnc(C2CCCNC2)n1C1CC1
InChIInChI=1S/C10H16N4/c1-2-8(6-11-5-1)10-13-12-7-14(10)9-3-4-9/h7-9,11H,1-6H2
InChIKeyQVGLYLGPFQJIBB-UHFFFAOYSA-N
XLogP1.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 25658249
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
3-((dimethyl-1H-1,2,4-triazol-1-yl)methyl)piperidine
CID 54592625
3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 43810594
4-(3,5-Dimethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 44721353
3-(4H-1,2,4-triazol-3-yl)piperidine
CID 57004215
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202
3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62694266
[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methyl(3-piperidinylmethyl)amine dihydrochloride
CID 70768653
1-[3-(4-Methylpiperidin-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71893532

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine (CID 50988270) is 3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine is c1nnc(C2CCCNC2)n1C1CC1.
What is the InChIKey of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is QVGLYLGPFQJIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-2-8(6-11-5-1)10-13-12-7-14(10)9-3-4-9/h7-9,11H,1-6H2.
What are the key properties of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine?
3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 192.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 50988270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).