4,5-dimethyl-6-(3-methyltriazol-4-yl)pyridazin-3-amine

C9H12N6 — CID 114690975

IUPAC4,5-dimethyl-6-(3-methyltriazol-4-yl)pyridazin-3-amine
SMILESCc1c(N)nnc(-c2cnnn2C)c1C
InChIInChI=1S/C9H12N6/c1-5-6(2)9(10)13-12-8(5)7-4-11-14-15(7)3/h4H,1-3H3,(H2,10,13)
InChIKeyDFVKWYHSSKQESM-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.47
Rot. Bonds1

About 4,5-dimethyl-6-(3-methyltriazol-4-yl)pyridazin-3-amine

4,5-dimethyl-6-(3-methyltriazol-4-yl)pyridazin-3-amine (PubChem CID 114690975) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 4,5-dimethyl-6-(3-methyltriazol-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name4,5-dimethyl-6-(3-methyltriazol-4-yl)pyridazin-3-amine
PubChem CID114690975
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name4,5-dimethyl-6-(3-methyltriazol-4-yl)pyridazin-3-amine
SMILESCc1c(N)nnc(-c2cnnn2C)c1C
InChIInChI=1S/C9H12N6/c1-5-6(2)9(10)13-12-8(5)7-4-11-14-15(7)3/h4H,1-3H3,(H2,10,13)
InChIKeyDFVKWYHSSKQESM-UHFFFAOYSA-N
XLogP0.47
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-(3-methyltriazol-4-yl)pyridazin-3-amine?
The IUPAC name of 4,5-dimethyl-6-(3-methyltriazol-4-yl)pyridazin-3-amine (CID 114690975) is 4,5-dimethyl-6-(3-methyltriazol-4-yl)pyridazin-3-amine.
What is the SMILES notation for 4,5-dimethyl-6-(3-methyltriazol-4-yl)pyridazin-3-amine?
The canonical SMILES for 4,5-dimethyl-6-(3-methyltriazol-4-yl)pyridazin-3-amine is Cc1c(N)nnc(-c2cnnn2C)c1C.
What is the InChIKey of 4,5-dimethyl-6-(3-methyltriazol-4-yl)pyridazin-3-amine?
The InChIKey is DFVKWYHSSKQESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-5-6(2)9(10)13-12-8(5)7-4-11-14-15(7)3/h4H,1-3H3,(H2,10,13).
What are the key properties of 4,5-dimethyl-6-(3-methyltriazol-4-yl)pyridazin-3-amine?
4,5-dimethyl-6-(3-methyltriazol-4-yl)pyridazin-3-amine has a molecular weight of 204.24 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-(3-methyltriazol-4-yl)pyridazin-3-amine is sourced from PubChem (CID 114690975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).