6-chloro-N-(2,3-dimethylbutyl)pyridazin-3-amine

C10H16ClN3 — CID 64598579

IUPAC6-chloro-N-(2,3-dimethylbutyl)pyridazin-3-amine
SMILESCC(C)C(C)CNc1ccc(Cl)nn1
InChIInChI=1S/C10H16ClN3/c1-7(2)8(3)6-12-10-5-4-9(11)13-14-10/h4-5,7-8H,6H2,1-3H3,(H,12,14)
InChIKeyBPLRNAGWKTUSPR-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.83
Rot. Bonds4

About 6-chloro-N-(2,3-dimethylbutyl)pyridazin-3-amine

6-chloro-N-(2,3-dimethylbutyl)pyridazin-3-amine (PubChem CID 64598579) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dimethylbutyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dimethylbutyl)pyridazin-3-amine
PubChem CID64598579
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name6-chloro-N-(2,3-dimethylbutyl)pyridazin-3-amine
SMILESCC(C)C(C)CNc1ccc(Cl)nn1
InChIInChI=1S/C10H16ClN3/c1-7(2)8(3)6-12-10-5-4-9(11)13-14-10/h4-5,7-8H,6H2,1-3H3,(H,12,14)
InChIKeyBPLRNAGWKTUSPR-UHFFFAOYSA-N
XLogP2.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dimethylbutyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(2,3-dimethylbutyl)pyridazin-3-amine (CID 64598579) is 6-chloro-N-(2,3-dimethylbutyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(2,3-dimethylbutyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(2,3-dimethylbutyl)pyridazin-3-amine is CC(C)C(C)CNc1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(2,3-dimethylbutyl)pyridazin-3-amine?
The InChIKey is BPLRNAGWKTUSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-7(2)8(3)6-12-10-5-4-9(11)13-14-10/h4-5,7-8H,6H2,1-3H3,(H,12,14).
What are the key properties of 6-chloro-N-(2,3-dimethylbutyl)pyridazin-3-amine?
6-chloro-N-(2,3-dimethylbutyl)pyridazin-3-amine has a molecular weight of 213.71 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dimethylbutyl)pyridazin-3-amine is sourced from PubChem (CID 64598579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).