5-chloro-3-methylpyrimido[4,5-c]pyridazin-7-amine

C7H6ClN5 — CID 82399913

IUPAC5-chloro-3-methylpyrimido[4,5-c]pyridazin-7-amine
SMILESCc1cc2c(Cl)nc(N)nc2nn1
InChIInChI=1S/C7H6ClN5/c1-3-2-4-5(8)10-7(9)11-6(4)13-12-3/h2H,1H3,(H2,9,10,11,13)
InChIKeyYVJWSSUQWKQGGG-UHFFFAOYSA-N
MW195.61 g/mol
LogP0.96
Rot. Bonds

About 5-chloro-3-methylpyrimido[4,5-c]pyridazin-7-amine

5-chloro-3-methylpyrimido[4,5-c]pyridazin-7-amine (PubChem CID 82399913) has the molecular formula C7H6ClN5 and a molecular weight of 195.61 g/mol. Its IUPAC name is 5-chloro-3-methylpyrimido[4,5-c]pyridazin-7-amine.

Molecular Properties

Compound Name5-chloro-3-methylpyrimido[4,5-c]pyridazin-7-amine
PubChem CID82399913
Molecular FormulaC7H6ClN5
Molecular Weight195.61 g/mol
Exact Mass195.03
IUPAC Name5-chloro-3-methylpyrimido[4,5-c]pyridazin-7-amine
SMILESCc1cc2c(Cl)nc(N)nc2nn1
InChIInChI=1S/C7H6ClN5/c1-3-2-4-5(8)10-7(9)11-6(4)13-12-3/h2H,1H3,(H2,9,10,11,13)
InChIKeyYVJWSSUQWKQGGG-UHFFFAOYSA-N
XLogP0.96
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methylpyrimido[4,5-c]pyridazin-7-amine?
The IUPAC name of 5-chloro-3-methylpyrimido[4,5-c]pyridazin-7-amine (CID 82399913) is 5-chloro-3-methylpyrimido[4,5-c]pyridazin-7-amine.
What is the SMILES notation for 5-chloro-3-methylpyrimido[4,5-c]pyridazin-7-amine?
The canonical SMILES for 5-chloro-3-methylpyrimido[4,5-c]pyridazin-7-amine is Cc1cc2c(Cl)nc(N)nc2nn1.
What is the InChIKey of 5-chloro-3-methylpyrimido[4,5-c]pyridazin-7-amine?
The InChIKey is YVJWSSUQWKQGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5/c1-3-2-4-5(8)10-7(9)11-6(4)13-12-3/h2H,1H3,(H2,9,10,11,13).
What are the key properties of 5-chloro-3-methylpyrimido[4,5-c]pyridazin-7-amine?
5-chloro-3-methylpyrimido[4,5-c]pyridazin-7-amine has a molecular weight of 195.61 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methylpyrimido[4,5-c]pyridazin-7-amine is sourced from PubChem (CID 82399913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).