4-[methyl(pyrazin-2-yl)amino]cyclohexan-1-ol

C11H17N3O — CID 117044799

IUPAC4-[methyl(pyrazin-2-yl)amino]cyclohexan-1-ol
SMILESCN(c1cnccn1)C1CCC(O)CC1
InChIInChI=1S/C11H17N3O/c1-14(11-8-12-6-7-13-11)9-2-4-10(15)5-3-9/h6-10,15H,2-5H2,1H3
InChIKeyHBNJEQIQQZHUMK-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.22
Rot. Bonds2

About 4-[methyl(pyrazin-2-yl)amino]cyclohexan-1-ol

4-[methyl(pyrazin-2-yl)amino]cyclohexan-1-ol (PubChem CID 117044799) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-[methyl(pyrazin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[methyl(pyrazin-2-yl)amino]cyclohexan-1-ol
PubChem CID117044799
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-[methyl(pyrazin-2-yl)amino]cyclohexan-1-ol
SMILESCN(c1cnccn1)C1CCC(O)CC1
InChIInChI=1S/C11H17N3O/c1-14(11-8-12-6-7-13-11)9-2-4-10(15)5-3-9/h6-10,15H,2-5H2,1H3
InChIKeyHBNJEQIQQZHUMK-UHFFFAOYSA-N
XLogP1.22
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyrazin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[methyl(pyrazin-2-yl)amino]cyclohexan-1-ol (CID 117044799) is 4-[methyl(pyrazin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[methyl(pyrazin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[methyl(pyrazin-2-yl)amino]cyclohexan-1-ol is CN(c1cnccn1)C1CCC(O)CC1.
What is the InChIKey of 4-[methyl(pyrazin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is HBNJEQIQQZHUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14(11-8-12-6-7-13-11)9-2-4-10(15)5-3-9/h6-10,15H,2-5H2,1H3.
What are the key properties of 4-[methyl(pyrazin-2-yl)amino]cyclohexan-1-ol?
4-[methyl(pyrazin-2-yl)amino]cyclohexan-1-ol has a molecular weight of 207.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyrazin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 117044799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).