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

C10H18N4 — CID 61336378

IUPAC3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine
SMILESCC(C)c1n[nH]c(C2CCCNC2)n1
InChIInChI=1S/C10H18N4/c1-7(2)9-12-10(14-13-9)8-4-3-5-11-6-8/h7-8,11H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyNYDMVYDOUSWVEW-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.40
Rot. Bonds2

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

3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 61336378) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine
PubChem CID61336378
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine
SMILESCC(C)c1n[nH]c(C2CCCNC2)n1
InChIInChI=1S/C10H18N4/c1-7(2)9-12-10(14-13-9)8-4-3-5-11-6-8/h7-8,11H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyNYDMVYDOUSWVEW-UHFFFAOYSA-N
XLogP1.40
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine (CID 61336378) is 3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine is CC(C)c1n[nH]c(C2CCCNC2)n1.
What is the InChIKey of 3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is NYDMVYDOUSWVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(2)9-12-10(14-13-9)8-4-3-5-11-6-8/h7-8,11H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine?
3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 194.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 61336378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).