1-ethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine

C10H18N4 — CID 23389266

IUPAC1-ethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCCN1CCC(c2nncn2C)CC1
InChIInChI=1S/C10H18N4/c1-3-14-6-4-9(5-7-14)10-12-11-8-13(10)2/h8-9H,3-7H2,1-2H3
InChIKeyBKRKVNCTEKVSMF-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.01
Rot. Bonds2

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

1-ethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 23389266) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-ethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-ethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID23389266
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-ethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCCN1CCC(c2nncn2C)CC1
InChIInChI=1S/C10H18N4/c1-3-14-6-4-9(5-7-14)10-12-11-8-13(10)2/h8-9H,3-7H2,1-2H3
InChIKeyBKRKVNCTEKVSMF-UHFFFAOYSA-N
XLogP1.01
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-ethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine (CID 23389266) is 1-ethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-ethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-ethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine is CCN1CCC(c2nncn2C)CC1.
What is the InChIKey of 1-ethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is BKRKVNCTEKVSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-14-6-4-9(5-7-14)10-12-11-8-13(10)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
1-ethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 194.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 23389266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).