3-cyclohexyl-8-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine

C12H18N4 — CID 175767279

IUPAC3-cyclohexyl-8-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1=NCCn2c1nnc2C1CCCCC1
InChIInChI=1S/C12H18N4/c1-9-11-14-15-12(16(11)8-7-13-9)10-5-3-2-4-6-10/h10H,2-8H2,1H3
InChIKeySBCYZFIARDUXQL-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.15
Rot. Bonds1

About 3-cyclohexyl-8-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine

3-cyclohexyl-8-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 175767279) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-cyclohexyl-8-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-cyclohexyl-8-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID175767279
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3-cyclohexyl-8-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1=NCCn2c1nnc2C1CCCCC1
InChIInChI=1S/C12H18N4/c1-9-11-14-15-12(16(11)8-7-13-9)10-5-3-2-4-6-10/h10H,2-8H2,1H3
InChIKeySBCYZFIARDUXQL-UHFFFAOYSA-N
XLogP2.15
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-8-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-cyclohexyl-8-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 175767279) is 3-cyclohexyl-8-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-cyclohexyl-8-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-cyclohexyl-8-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine is CC1=NCCn2c1nnc2C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-8-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is SBCYZFIARDUXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9-11-14-15-12(16(11)8-7-13-9)10-5-3-2-4-6-10/h10H,2-8H2,1H3.
What are the key properties of 3-cyclohexyl-8-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-cyclohexyl-8-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 218.30 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-8-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 175767279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).