1-[5-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine

C14H20N6O — CID 102797310

IUPAC1-[5-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
SMILESCOc1cnccc1-c1nc(N2CC(C)NC(C)C2)n[nH]1
InChIInChI=1S/C14H20N6O/c1-9-7-20(8-10(2)16-9)14-17-13(18-19-14)11-4-5-15-6-12(11)21-3/h4-6,9-10,16H,7-8H2,1-3H3,(H,17,18,19)
InChIKeyYCAXJPYGDMGVLD-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.06
Rot. Bonds3

About 1-[5-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine

1-[5-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine (PubChem CID 102797310) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[5-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[5-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
PubChem CID102797310
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name1-[5-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
SMILESCOc1cnccc1-c1nc(N2CC(C)NC(C)C2)n[nH]1
InChIInChI=1S/C14H20N6O/c1-9-7-20(8-10(2)16-9)14-17-13(18-19-14)11-4-5-15-6-12(11)21-3/h4-6,9-10,16H,7-8H2,1-3H3,(H,17,18,19)
InChIKeyYCAXJPYGDMGVLD-UHFFFAOYSA-N
XLogP1.06
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-[5-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798006
3,5-dimethyl-1-[5-(2-methylsulfanylphenyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797359
4-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-methylphenol
CID 136750843
1-[5-(5-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797309
1-[5-(2-bromo-5-methylphenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797316
3,5-dimethyl-1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797402
1-[5-(4-bromo-2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797260
1-[5-(5-fluoro-3-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797345
(3S)-1-[5-(3-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797886
(3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone
CID 105064090
2-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-fluorophenol
CID 136678095
1-[5-(4-bromo-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102792751

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[5-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine (CID 102797310) is 1-[5-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[5-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[5-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine is COc1cnccc1-c1nc(N2CC(C)NC(C)C2)n[nH]1.
What is the InChIKey of 1-[5-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine?
The InChIKey is YCAXJPYGDMGVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9-7-20(8-10(2)16-9)14-17-13(18-19-14)11-4-5-15-6-12(11)21-3/h4-6,9-10,16H,7-8H2,1-3H3,(H,17,18,19).
What are the key properties of 1-[5-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine?
1-[5-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine has a molecular weight of 288.35 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine is sourced from PubChem (CID 102797310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).