1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine

C14H20N6 — CID 136568371

IUPAC1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine
SMILESc1cn(C2CC2)c(CN2CCCC(n3cncn3)C2)n1
InChIInChI=1S/C14H20N6/c1-2-13(20-11-15-10-17-20)8-18(6-1)9-14-16-5-7-19(14)12-3-4-12/h5,7,10-13H,1-4,6,8-9H2
InChIKeyHXVJGSVAFWAQMG-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.65
Rot. Bonds4

About 1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine

1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine (PubChem CID 136568371) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine.

Molecular Properties

Compound Name1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine
PubChem CID136568371
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine
SMILESc1cn(C2CC2)c(CN2CCCC(n3cncn3)C2)n1
InChIInChI=1S/C14H20N6/c1-2-13(20-11-15-10-17-20)8-18(6-1)9-14-16-5-7-19(14)12-3-4-12/h5,7,10-13H,1-4,6,8-9H2
InChIKeyHXVJGSVAFWAQMG-UHFFFAOYSA-N
XLogP1.65
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine?
The IUPAC name of 1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine (CID 136568371) is 1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine.
What is the SMILES notation for 1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine?
The canonical SMILES for 1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine is c1cn(C2CC2)c(CN2CCCC(n3cncn3)C2)n1.
What is the InChIKey of 1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine?
The InChIKey is HXVJGSVAFWAQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-2-13(20-11-15-10-17-20)8-18(6-1)9-14-16-5-7-19(14)12-3-4-12/h5,7,10-13H,1-4,6,8-9H2.
What are the key properties of 1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine?
1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine has a molecular weight of 272.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine is sourced from PubChem (CID 136568371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).