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

C10H16N4 — CID 47003211

IUPAC4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine
SMILESC1CC(c2nc(C3CC3)n[nH]2)CCN1
InChIInChI=1S/C10H16N4/c1-2-7(1)9-12-10(14-13-9)8-3-5-11-6-4-8/h7-8,11H,1-6H2,(H,12,13,14)
InChIKeyVUSGWKQMYKIPCN-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.15
Rot. Bonds2

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

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 47003211) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine
PubChem CID47003211
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine
SMILESC1CC(c2nc(C3CC3)n[nH]2)CCN1
InChIInChI=1S/C10H16N4/c1-2-7(1)9-12-10(14-13-9)8-3-5-11-6-4-8/h7-8,11H,1-6H2,(H,12,13,14)
InChIKeyVUSGWKQMYKIPCN-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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Related Compounds

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CID 47002730
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CID 57004215
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CID 61279544
CID 61279544
CID 71758195
CID 71758195
CID 53605242
CID 53605242
CID 47003210
CID 47003210
CID 53192256
CID 53192256
CID 54592710
CID 54592710
CID 61320156
CID 61320156
CID 61336802
CID 61336802

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine (CID 47003211) is 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine is C1CC(c2nc(C3CC3)n[nH]2)CCN1.
What is the InChIKey of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is VUSGWKQMYKIPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-2-7(1)9-12-10(14-13-9)8-3-5-11-6-4-8/h7-8,11H,1-6H2,(H,12,13,14).
What are the key properties of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine?
4-(3-cyclopropyl-1H-1,2,4-triazol-5-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 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 47003211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).