2-methyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine

C14H20N6 — CID 95294862

IUPAC2-methyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine
SMILESCc1cnc(CN2CCCC[C@@H]2Cn2cncn2)cn1
InChIInChI=1S/C14H20N6/c1-12-6-17-13(7-16-12)8-19-5-3-2-4-14(19)9-20-11-15-10-18-20/h6-7,10-11,14H,2-5,8-9H2,1H3/t14-/m1/s1
InChIKeyCPIBVRRKWDBOGC-CQSZACIVSA-N
MW272.36 g/mol
LogP1.43
Rot. Bonds4

About 2-methyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine

2-methyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine (PubChem CID 95294862) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 2-methyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-methyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine
PubChem CID95294862
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name2-methyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine
SMILESCc1cnc(CN2CCCC[C@@H]2Cn2cncn2)cn1
InChIInChI=1S/C14H20N6/c1-12-6-17-13(7-16-12)8-19-5-3-2-4-14(19)9-20-11-15-10-18-20/h6-7,10-11,14H,2-5,8-9H2,1H3/t14-/m1/s1
InChIKeyCPIBVRRKWDBOGC-CQSZACIVSA-N
XLogP1.43
TPSA59.73 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 ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine?
The IUPAC name of 2-methyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine (CID 95294862) is 2-methyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-methyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine?
The canonical SMILES for 2-methyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine is Cc1cnc(CN2CCCC[C@@H]2Cn2cncn2)cn1.
What is the InChIKey of 2-methyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine?
The InChIKey is CPIBVRRKWDBOGC-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20N6/c1-12-6-17-13(7-16-12)8-19-5-3-2-4-14(19)9-20-11-15-10-18-20/h6-7,10-11,14H,2-5,8-9H2,1H3/t14-/m1/s1.
What are the key properties of 2-methyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine?
2-methyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine has a molecular weight of 272.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine is sourced from PubChem (CID 95294862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).