3-chloro-5-[methyl(propyl)amino]pyrazine-2-carbaldehyde

C9H12ClN3O — CID 86649001

IUPAC3-chloro-5-[methyl(propyl)amino]pyrazine-2-carbaldehyde
SMILESCCCN(C)c1cnc(C=O)c(Cl)n1
InChIInChI=1S/C9H12ClN3O/c1-3-4-13(2)8-5-11-7(6-14)9(10)12-8/h5-6H,3-4H2,1-2H3
InChIKeyVRXSCEODXSOTJL-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.79
Rot. Bonds4

About 3-chloro-5-[methyl(propyl)amino]pyrazine-2-carbaldehyde

3-chloro-5-[methyl(propyl)amino]pyrazine-2-carbaldehyde (PubChem CID 86649001) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 3-chloro-5-[methyl(propyl)amino]pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-[methyl(propyl)amino]pyrazine-2-carbaldehyde
PubChem CID86649001
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name3-chloro-5-[methyl(propyl)amino]pyrazine-2-carbaldehyde
SMILESCCCN(C)c1cnc(C=O)c(Cl)n1
InChIInChI=1S/C9H12ClN3O/c1-3-4-13(2)8-5-11-7(6-14)9(10)12-8/h5-6H,3-4H2,1-2H3
InChIKeyVRXSCEODXSOTJL-UHFFFAOYSA-N
XLogP1.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-5-[methyl(propyl)amino]pyrazine-2-carbaldehyde 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

5-[butan-2-yl(methyl)amino]-3-chloropyrazine-2-carbaldehyde;phosphoryl trichloride
CID 161139050
3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine
CID 114998180
2-N-methyl-2-N-propylpyrazine-2,5-diamine
CID 80652247
3-chloro-5-[(2-methylpropan-2-yl)oxy]pyrazine-2-carbaldehyde
CID 22247869
5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine
CID 114920828
4-chloro-6-[methyl(pentyl)amino]pyrimidine-5-carbaldehyde
CID 66334529
2-N-methyl-2-N-pentylpyrazine-2,5-diamine
CID 80653265
N,5-dimethyl-N-propylpyridin-2-amine
CID 126990111
6-hydrazinyl-N-methyl-N-propylpyrazin-2-amine
CID 80895088
3-chloro-5-[(dimethylamino)methyl]pyridine-2-carbaldehyde
CID 155338894
2-(4-butoxyphenyl)-5-chloro-1H-imidazole-4-carbaldehyde
CID 15099320
2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine
CID 80953907

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[methyl(propyl)amino]pyrazine-2-carbaldehyde?
The IUPAC name of 3-chloro-5-[methyl(propyl)amino]pyrazine-2-carbaldehyde (CID 86649001) is 3-chloro-5-[methyl(propyl)amino]pyrazine-2-carbaldehyde.
What is the SMILES notation for 3-chloro-5-[methyl(propyl)amino]pyrazine-2-carbaldehyde?
The canonical SMILES for 3-chloro-5-[methyl(propyl)amino]pyrazine-2-carbaldehyde is CCCN(C)c1cnc(C=O)c(Cl)n1.
What is the InChIKey of 3-chloro-5-[methyl(propyl)amino]pyrazine-2-carbaldehyde?
The InChIKey is VRXSCEODXSOTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-3-4-13(2)8-5-11-7(6-14)9(10)12-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-chloro-5-[methyl(propyl)amino]pyrazine-2-carbaldehyde?
3-chloro-5-[methyl(propyl)amino]pyrazine-2-carbaldehyde has a molecular weight of 213.67 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[methyl(propyl)amino]pyrazine-2-carbaldehyde is sourced from PubChem (CID 86649001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).