2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-ol

C13H22N4O — CID 64580024

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(CN2CCn3cnnc3C2)C1
InChIInChI=1S/C13H22N4O/c1-10-2-3-12(18)11(6-10)7-16-4-5-17-9-14-15-13(17)8-16/h9-12,18H,2-8H2,1H3
InChIKeyGFPYTTFHJQSKDQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.89
Rot. Bonds2

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-ol

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-ol (PubChem CID 64580024) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-ol
PubChem CID64580024
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(CN2CCn3cnnc3C2)C1
InChIInChI=1S/C13H22N4O/c1-10-2-3-12(18)11(6-10)7-16-4-5-17-9-14-15-13(17)8-16/h9-12,18H,2-8H2,1H3
InChIKeyGFPYTTFHJQSKDQ-UHFFFAOYSA-N
XLogP0.89
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-ol?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-ol (CID 64580024) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-ol?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-ol is CC1CCC(O)C(CN2CCn3cnnc3C2)C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-ol?
The InChIKey is GFPYTTFHJQSKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-2-3-12(18)11(6-10)7-16-4-5-17-9-14-15-13(17)8-16/h9-12,18H,2-8H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-ol?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-ol is sourced from PubChem (CID 64580024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).