[3-methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol

C12H19N3O — CID 62527228

IUPAC[3-methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2cnccn2)C1
InChIInChI=1S/C12H19N3O/c1-10-3-2-4-12(7-10,9-16)15-11-8-13-5-6-14-11/h5-6,8,10,16H,2-4,7,9H2,1H3,(H,14,15)
InChIKeyNHRHJMKNKSJVEK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.83
Rot. Bonds3

About [3-methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol

[3-methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol (PubChem CID 62527228) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [3-methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol
PubChem CID62527228
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[3-methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2cnccn2)C1
InChIInChI=1S/C12H19N3O/c1-10-3-2-4-12(7-10,9-16)15-11-8-13-5-6-14-11/h5-6,8,10,16H,2-4,7,9H2,1H3,(H,14,15)
InChIKeyNHRHJMKNKSJVEK-UHFFFAOYSA-N
XLogP1.83
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol (CID 62527228) is [3-methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol is CC1CCCC(CO)(Nc2cnccn2)C1.
What is the InChIKey of [3-methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol?
The InChIKey is NHRHJMKNKSJVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-3-2-4-12(7-10,9-16)15-11-8-13-5-6-14-11/h5-6,8,10,16H,2-4,7,9H2,1H3,(H,14,15).
What are the key properties of [3-methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol?
[3-methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 62527228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).