[5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol

C9H11N3O — CID 107372927

IUPAC[5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol
SMILESC#CCN(C)c1cnc(CO)cn1
InChIInChI=1S/C9H11N3O/c1-3-4-12(2)9-6-10-8(7-13)5-11-9/h1,5-6,13H,4,7H2,2H3
InChIKeyMFWLPROPWBNAFF-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.04
Rot. Bonds3

About [5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol

[5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol (PubChem CID 107372927) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is [5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol
PubChem CID107372927
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name[5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol
SMILESC#CCN(C)c1cnc(CO)cn1
InChIInChI=1S/C9H11N3O/c1-3-4-12(2)9-6-10-8(7-13)5-11-9/h1,5-6,13H,4,7H2,2H3
InChIKeyMFWLPROPWBNAFF-UHFFFAOYSA-N
XLogP0.04
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(hydroxymethyl)pyrazin-2-yl]-methylamino]ethanol
CID 107372728
[5-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazin-2-yl]methanol
CID 107372852
[5-[2,2-difluoroethyl(methyl)amino]pyrazin-2-yl]methanol
CID 107372967
[5-[methyl(2-pyridin-2-ylethyl)amino]pyrazin-2-yl]methanol
CID 107372677
5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol
CID 107198062
[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazin-2-yl]methanol
CID 107372750
[5-[methyl(oxolan-2-ylmethyl)amino]pyrazin-2-yl]methanol
CID 107372756
[5-[2-(dimethylamino)ethyl-propylamino]pyrazin-2-yl]methanol
CID 107372809
[5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyrazin-2-yl]methanol
CID 107372861
[5-[ethyl(propan-2-yl)amino]pyrazin-2-yl]methanol
CID 107372692
[5-[methyl-(4-methylcyclohexyl)amino]pyrazin-2-yl]methanol
CID 107372760
N,1-dimethyl-N-prop-2-ynylpyrazol-3-amine
CID 130703218

Frequently Asked Questions

What is the IUPAC name of [5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol?
The IUPAC name of [5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol (CID 107372927) is [5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol is C#CCN(C)c1cnc(CO)cn1.
What is the InChIKey of [5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol?
The InChIKey is MFWLPROPWBNAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-3-4-12(2)9-6-10-8(7-13)5-11-9/h1,5-6,13H,4,7H2,2H3.
What are the key properties of [5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol?
[5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol has a molecular weight of 177.21 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol is sourced from PubChem (CID 107372927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).