1-methyl-4-propan-2-ylpyrido[3,4-d]pyridazine

C11H13N3 — CID 123656672

IUPAC1-methyl-4-propan-2-ylpyrido[3,4-d]pyridazine
SMILESCc1nnc(C(C)C)c2cnccc12
InChIInChI=1S/C11H13N3/c1-7(2)11-10-6-12-5-4-9(10)8(3)13-14-11/h4-7H,1-3H3
InChIKeyXCWWDTYEJPBSTC-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.46
Rot. Bonds1

About 1-methyl-4-propan-2-ylpyrido[3,4-d]pyridazine

1-methyl-4-propan-2-ylpyrido[3,4-d]pyridazine (PubChem CID 123656672) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpyrido[3,4-d]pyridazine.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylpyrido[3,4-d]pyridazine
PubChem CID123656672
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-methyl-4-propan-2-ylpyrido[3,4-d]pyridazine
SMILESCc1nnc(C(C)C)c2cnccc12
InChIInChI=1S/C11H13N3/c1-7(2)11-10-6-12-5-4-9(10)8(3)13-14-11/h4-7H,1-3H3
InChIKeyXCWWDTYEJPBSTC-UHFFFAOYSA-N
XLogP2.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylpyrido[3,4-d]pyridazine?
The IUPAC name of 1-methyl-4-propan-2-ylpyrido[3,4-d]pyridazine (CID 123656672) is 1-methyl-4-propan-2-ylpyrido[3,4-d]pyridazine.
What is the SMILES notation for 1-methyl-4-propan-2-ylpyrido[3,4-d]pyridazine?
The canonical SMILES for 1-methyl-4-propan-2-ylpyrido[3,4-d]pyridazine is Cc1nnc(C(C)C)c2cnccc12.
What is the InChIKey of 1-methyl-4-propan-2-ylpyrido[3,4-d]pyridazine?
The InChIKey is XCWWDTYEJPBSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7(2)11-10-6-12-5-4-9(10)8(3)13-14-11/h4-7H,1-3H3.
What are the key properties of 1-methyl-4-propan-2-ylpyrido[3,4-d]pyridazine?
1-methyl-4-propan-2-ylpyrido[3,4-d]pyridazine has a molecular weight of 187.25 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylpyrido[3,4-d]pyridazine is sourced from PubChem (CID 123656672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).