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

C10H12ClN3O — CID 86648994

IUPAC3-chloro-5-[cyclopropylmethyl(methyl)amino]pyrazine-2-carbaldehyde
SMILESCN(CC1CC1)c1cnc(C=O)c(Cl)n1
InChIInChI=1S/C10H12ClN3O/c1-14(5-7-2-3-7)9-4-12-8(6-15)10(11)13-9/h4,6-7H,2-3,5H2,1H3
InChIKeyOZEAKJJYEFKGLI-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.79
Rot. Bonds4

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

3-chloro-5-[cyclopropylmethyl(methyl)amino]pyrazine-2-carbaldehyde (PubChem CID 86648994) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 3-chloro-5-[cyclopropylmethyl(methyl)amino]pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-[cyclopropylmethyl(methyl)amino]pyrazine-2-carbaldehyde
PubChem CID86648994
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name3-chloro-5-[cyclopropylmethyl(methyl)amino]pyrazine-2-carbaldehyde
SMILESCN(CC1CC1)c1cnc(C=O)c(Cl)n1
InChIInChI=1S/C10H12ClN3O/c1-14(5-7-2-3-7)9-4-12-8(6-15)10(11)13-9/h4,6-7H,2-3,5H2,1H3
InChIKeyOZEAKJJYEFKGLI-UHFFFAOYSA-N
XLogP1.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[cyclopropylmethyl(methyl)amino]pyrazine-2-carbaldehyde?
The IUPAC name of 3-chloro-5-[cyclopropylmethyl(methyl)amino]pyrazine-2-carbaldehyde (CID 86648994) is 3-chloro-5-[cyclopropylmethyl(methyl)amino]pyrazine-2-carbaldehyde.
What is the SMILES notation for 3-chloro-5-[cyclopropylmethyl(methyl)amino]pyrazine-2-carbaldehyde?
The canonical SMILES for 3-chloro-5-[cyclopropylmethyl(methyl)amino]pyrazine-2-carbaldehyde is CN(CC1CC1)c1cnc(C=O)c(Cl)n1.
What is the InChIKey of 3-chloro-5-[cyclopropylmethyl(methyl)amino]pyrazine-2-carbaldehyde?
The InChIKey is OZEAKJJYEFKGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-14(5-7-2-3-7)9-4-12-8(6-15)10(11)13-9/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 3-chloro-5-[cyclopropylmethyl(methyl)amino]pyrazine-2-carbaldehyde?
3-chloro-5-[cyclopropylmethyl(methyl)amino]pyrazine-2-carbaldehyde has a molecular weight of 225.68 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-[cyclopropylmethyl(methyl)amino]pyrazine-2-carbaldehyde is sourced from PubChem (CID 86648994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).