N-butyl-6-chloro-N-cyclopropyl-4,5-dimethylpyridazin-3-amine

C13H20ClN3 — CID 63271810

IUPACN-butyl-6-chloro-N-cyclopropyl-4,5-dimethylpyridazin-3-amine
SMILESCCCCN(c1nnc(Cl)c(C)c1C)C1CC1
InChIInChI=1S/C13H20ClN3/c1-4-5-8-17(11-6-7-11)13-10(3)9(2)12(14)15-16-13/h11H,4-8H2,1-3H3
InChIKeyIJQQFZFBQWFFER-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.52
Rot. Bonds5

About N-butyl-6-chloro-N-cyclopropyl-4,5-dimethylpyridazin-3-amine

N-butyl-6-chloro-N-cyclopropyl-4,5-dimethylpyridazin-3-amine (PubChem CID 63271810) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is N-butyl-6-chloro-N-cyclopropyl-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound NameN-butyl-6-chloro-N-cyclopropyl-4,5-dimethylpyridazin-3-amine
PubChem CID63271810
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC NameN-butyl-6-chloro-N-cyclopropyl-4,5-dimethylpyridazin-3-amine
SMILESCCCCN(c1nnc(Cl)c(C)c1C)C1CC1
InChIInChI=1S/C13H20ClN3/c1-4-5-8-17(11-6-7-11)13-10(3)9(2)12(14)15-16-13/h11H,4-8H2,1-3H3
InChIKeyIJQQFZFBQWFFER-UHFFFAOYSA-N
XLogP3.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-chloro-N-cyclopropyl-4,5-dimethylpyridazin-3-amine?
The IUPAC name of N-butyl-6-chloro-N-cyclopropyl-4,5-dimethylpyridazin-3-amine (CID 63271810) is N-butyl-6-chloro-N-cyclopropyl-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for N-butyl-6-chloro-N-cyclopropyl-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for N-butyl-6-chloro-N-cyclopropyl-4,5-dimethylpyridazin-3-amine is CCCCN(c1nnc(Cl)c(C)c1C)C1CC1.
What is the InChIKey of N-butyl-6-chloro-N-cyclopropyl-4,5-dimethylpyridazin-3-amine?
The InChIKey is IJQQFZFBQWFFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-4-5-8-17(11-6-7-11)13-10(3)9(2)12(14)15-16-13/h11H,4-8H2,1-3H3.
What are the key properties of N-butyl-6-chloro-N-cyclopropyl-4,5-dimethylpyridazin-3-amine?
N-butyl-6-chloro-N-cyclopropyl-4,5-dimethylpyridazin-3-amine has a molecular weight of 253.78 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-chloro-N-cyclopropyl-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 63271810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).