2-methyl-5-[methyl(prop-2-enyl)amino]-3-oxopyridazine-4-carbaldehyde

C10H13N3O2 — CID 101074294

IUPAC2-methyl-5-[methyl(prop-2-enyl)amino]-3-oxopyridazine-4-carbaldehyde
SMILESC=CCN(C)c1cnn(C)c(=O)c1C=O
InChIInChI=1S/C10H13N3O2/c1-4-5-12(2)9-6-11-13(3)10(15)8(9)7-14/h4,6-7H,1,5H2,2-3H3
InChIKeyCRRNDVVQPIPSOM-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.22
Rot. Bonds4

About 2-methyl-5-[methyl(prop-2-enyl)amino]-3-oxopyridazine-4-carbaldehyde

2-methyl-5-[methyl(prop-2-enyl)amino]-3-oxopyridazine-4-carbaldehyde (PubChem CID 101074294) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-methyl-5-[methyl(prop-2-enyl)amino]-3-oxopyridazine-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5-[methyl(prop-2-enyl)amino]-3-oxopyridazine-4-carbaldehyde
PubChem CID101074294
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-methyl-5-[methyl(prop-2-enyl)amino]-3-oxopyridazine-4-carbaldehyde
SMILESC=CCN(C)c1cnn(C)c(=O)c1C=O
InChIInChI=1S/C10H13N3O2/c1-4-5-12(2)9-6-11-13(3)10(15)8(9)7-14/h4,6-7H,1,5H2,2-3H3
InChIKeyCRRNDVVQPIPSOM-UHFFFAOYSA-N
XLogP0.22
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[methyl(prop-2-enyl)amino]-3-oxopyridazine-4-carbaldehyde?
The IUPAC name of 2-methyl-5-[methyl(prop-2-enyl)amino]-3-oxopyridazine-4-carbaldehyde (CID 101074294) is 2-methyl-5-[methyl(prop-2-enyl)amino]-3-oxopyridazine-4-carbaldehyde.
What is the SMILES notation for 2-methyl-5-[methyl(prop-2-enyl)amino]-3-oxopyridazine-4-carbaldehyde?
The canonical SMILES for 2-methyl-5-[methyl(prop-2-enyl)amino]-3-oxopyridazine-4-carbaldehyde is C=CCN(C)c1cnn(C)c(=O)c1C=O.
What is the InChIKey of 2-methyl-5-[methyl(prop-2-enyl)amino]-3-oxopyridazine-4-carbaldehyde?
The InChIKey is CRRNDVVQPIPSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-4-5-12(2)9-6-11-13(3)10(15)8(9)7-14/h4,6-7H,1,5H2,2-3H3.
What are the key properties of 2-methyl-5-[methyl(prop-2-enyl)amino]-3-oxopyridazine-4-carbaldehyde?
2-methyl-5-[methyl(prop-2-enyl)amino]-3-oxopyridazine-4-carbaldehyde has a molecular weight of 207.23 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[methyl(prop-2-enyl)amino]-3-oxopyridazine-4-carbaldehyde is sourced from PubChem (CID 101074294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).