1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol

C9H15N3O — CID 62847369

IUPAC1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
SMILESCc1cnc(CNCC(C)O)cn1
InChIInChI=1S/C9H15N3O/c1-7-3-12-9(6-11-7)5-10-4-8(2)13/h3,6,8,10,13H,4-5H2,1-2H3
InChIKeyKKIPGOBHCJREFU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.26
Rot. Bonds4

About 1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol

1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol (PubChem CID 62847369) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
PubChem CID62847369
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
SMILESCc1cnc(CNCC(C)O)cn1
InChIInChI=1S/C9H15N3O/c1-7-3-12-9(6-11-7)5-10-4-8(2)13/h3,6,8,10,13H,4-5H2,1-2H3
InChIKeyKKIPGOBHCJREFU-UHFFFAOYSA-N
XLogP0.26
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol 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

3-methoxy-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 115710591
1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 103157723
1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol
CID 62848099
methyl 2-bromo-3-[(5-methylpyrazin-2-yl)methylamino]propanoate
CID 103249596
1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 62847006
N',N'-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]ethane-1,2-diamine
CID 62845919
1-(2-butoxyethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62847559
2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 80695023
2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile
CID 62846098
4-[[(5-methylpyrazin-2-yl)methylamino]methyl]benzene-1,2,3-triol
CID 107730827
1-(1,3-benzodioxol-5-yl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol
CID 62846276
5-[(5-methylpyrazin-2-yl)methylamino]pentan-1-ol
CID 62848095

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol (CID 62847369) is 1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol is Cc1cnc(CNCC(C)O)cn1.
What is the InChIKey of 1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol?
The InChIKey is KKIPGOBHCJREFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-3-12-9(6-11-7)5-10-4-8(2)13/h3,6,8,10,13H,4-5H2,1-2H3.
What are the key properties of 1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol?
1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol has a molecular weight of 181.24 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 62847369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).