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

C10H16N4 — CID 53192256

IUPAC3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESC1CNCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C10H16N4/c1-2-8(6-11-5-1)10-12-9(13-14-10)7-3-4-7/h7-8,11H,1-6H2,(H,12,13,14)
InChIKeyZCUSQAMYBYWEDZ-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.15
Rot. Bonds2

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

3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192256) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine
PubChem CID53192256
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESC1CNCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C10H16N4/c1-2-8(6-11-5-1)10-12-9(13-14-10)7-3-4-7/h7-8,11H,1-6H2,(H,12,13,14)
InChIKeyZCUSQAMYBYWEDZ-UHFFFAOYSA-N
XLogP1.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine (CID 53192256) is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine is C1CNCC(c2n[nH]c(C3CC3)n2)C1.
What is the InChIKey of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine?
The InChIKey is ZCUSQAMYBYWEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-2-8(6-11-5-1)10-12-9(13-14-10)7-3-4-7/h7-8,11H,1-6H2,(H,12,13,14).
What are the key properties of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine?
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine has a molecular weight of 192.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).