2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-phenylpyrazine

C18H20N6 — CID 166201251

IUPAC2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-phenylpyrazine
SMILESCn1cnnc1C1CCN(c2cncc(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H20N6/c1-23-13-20-22-18(23)15-7-9-24(10-8-15)17-12-19-11-16(21-17)14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3
InChIKeyUUSHFWVIZQFXIB-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.66
Rot. Bonds3

About 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-phenylpyrazine

2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-phenylpyrazine (PubChem CID 166201251) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-phenylpyrazine.

Molecular Properties

Compound Name2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-phenylpyrazine
PubChem CID166201251
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-phenylpyrazine
SMILESCn1cnnc1C1CCN(c2cncc(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H20N6/c1-23-13-20-22-18(23)15-7-9-24(10-8-15)17-12-19-11-16(21-17)14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3
InChIKeyUUSHFWVIZQFXIB-UHFFFAOYSA-N
XLogP2.66
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-nitro-2-phenylpyridine
CID 133409043
2-phenyl-6-piperazin-1-ylpyrazine;hydrochloride
CID 90674681
4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine
CID 51108750
2-(4-fluorophenyl)-6-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]pyrazine
CID 166208312
(2R)-1-(6-phenylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 122051768
3-[3-[6-[4-(dimethylamino)piperidin-1-yl]pyrazin-2-yl]phenyl]prop-2-enoic acid
CID 67319944
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 95841300
2-(4-methoxyphenyl)-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidine
CID 74250827
1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone
CID 135096582
5-(6-phenylpyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 166201249
1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95730649
3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912401

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-phenylpyrazine?
The IUPAC name of 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-phenylpyrazine (CID 166201251) is 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-phenylpyrazine.
What is the SMILES notation for 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-phenylpyrazine?
The canonical SMILES for 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-phenylpyrazine is Cn1cnnc1C1CCN(c2cncc(-c3ccccc3)n2)CC1.
What is the InChIKey of 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-phenylpyrazine?
The InChIKey is UUSHFWVIZQFXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-23-13-20-22-18(23)15-7-9-24(10-8-15)17-12-19-11-16(21-17)14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3.
What are the key properties of 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-phenylpyrazine?
2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-phenylpyrazine has a molecular weight of 320.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-phenylpyrazine is sourced from PubChem (CID 166201251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).