2-[2-cyclohexyl-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]-5-methylpyrazine

C16H23N5O — CID 72883893

IUPAC2-[2-cyclohexyl-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]-5-methylpyrazine
SMILESCOCCc1nc(-c2cnc(C)cn2)n(C2CCCCC2)n1
InChIInChI=1S/C16H23N5O/c1-12-10-18-14(11-17-12)16-19-15(8-9-22-2)20-21(16)13-6-4-3-5-7-13/h10-11,13H,3-9H2,1-2H3
InChIKeyQWMANQHNVAYKBA-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.74
Rot. Bonds5

About 2-[2-cyclohexyl-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]-5-methylpyrazine

2-[2-cyclohexyl-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]-5-methylpyrazine (PubChem CID 72883893) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[2-cyclohexyl-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]-5-methylpyrazine.

Molecular Properties

Compound Name2-[2-cyclohexyl-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]-5-methylpyrazine
PubChem CID72883893
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-[2-cyclohexyl-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]-5-methylpyrazine
SMILESCOCCc1nc(-c2cnc(C)cn2)n(C2CCCCC2)n1
InChIInChI=1S/C16H23N5O/c1-12-10-18-14(11-17-12)16-19-15(8-9-22-2)20-21(16)13-6-4-3-5-7-13/h10-11,13H,3-9H2,1-2H3
InChIKeyQWMANQHNVAYKBA-UHFFFAOYSA-N
XLogP2.74
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-{1-butyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-1,2,4-triazol-5-yl}-5-methylpyrazine
CID 72881549
2-methyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine
CID 95294862
2-[5-[4-(Methoxymethyl)-4-methylpiperidin-1-yl]-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]pyrazine
CID 136572943
2-[4-Ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine
CID 136572944
4-Cyclohexyl-1-methyl-5-pyrazin-2-yl-1,2,4-triazol-4-ium-3-thiolate
CID 12869142
5-[4-Methyl-5-(5-methylpyrazin-2-yl)-1,2,4-triazol-3-yl]pentan-1-ol
CID 57691876
2-(2-Propan-2-yl-1,2,4-triazol-3-yl)pyrazine
CID 67734794
2-(2-Ethyl-1,2,4-triazol-3-yl)pyrazine
CID 91493255
2-(1-Ethyl-1,2,4-triazol-3-yl)pyrazine
CID 141290959
Ethane;2-(2-methyl-1,2,4-triazol-3-yl)pyrazine
CID 143941364
2-Methyl-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine
CID 53575266
2-[[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine
CID 53593818

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexyl-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]-5-methylpyrazine?
The IUPAC name of 2-[2-cyclohexyl-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]-5-methylpyrazine (CID 72883893) is 2-[2-cyclohexyl-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]-5-methylpyrazine.
What is the SMILES notation for 2-[2-cyclohexyl-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]-5-methylpyrazine?
The canonical SMILES for 2-[2-cyclohexyl-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]-5-methylpyrazine is COCCc1nc(-c2cnc(C)cn2)n(C2CCCCC2)n1.
What is the InChIKey of 2-[2-cyclohexyl-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]-5-methylpyrazine?
The InChIKey is QWMANQHNVAYKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12-10-18-14(11-17-12)16-19-15(8-9-22-2)20-21(16)13-6-4-3-5-7-13/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 2-[2-cyclohexyl-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]-5-methylpyrazine?
2-[2-cyclohexyl-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]-5-methylpyrazine has a molecular weight of 301.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexyl-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]-5-methylpyrazine is sourced from PubChem (CID 72883893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).