N-butyl-N-methylpyridazin-4-amine

C9H15N3 — CID 90878418

IUPACN-butyl-N-methylpyridazin-4-amine
SMILESCCCCN(C)c1ccnnc1
InChIInChI=1S/C9H15N3/c1-3-4-7-12(2)9-5-6-10-11-8-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyLQKKECPGVISTNE-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.71
Rot. Bonds4

About N-butyl-N-methylpyridazin-4-amine

N-butyl-N-methylpyridazin-4-amine (PubChem CID 90878418) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-butyl-N-methylpyridazin-4-amine.

Molecular Properties

Compound NameN-butyl-N-methylpyridazin-4-amine
PubChem CID90878418
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-butyl-N-methylpyridazin-4-amine
SMILESCCCCN(C)c1ccnnc1
InChIInChI=1S/C9H15N3/c1-3-4-7-12(2)9-5-6-10-11-8-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyLQKKECPGVISTNE-UHFFFAOYSA-N
XLogP1.71
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylpyridazin-4-amine?
The IUPAC name of N-butyl-N-methylpyridazin-4-amine (CID 90878418) is N-butyl-N-methylpyridazin-4-amine.
What is the SMILES notation for N-butyl-N-methylpyridazin-4-amine?
The canonical SMILES for N-butyl-N-methylpyridazin-4-amine is CCCCN(C)c1ccnnc1.
What is the InChIKey of N-butyl-N-methylpyridazin-4-amine?
The InChIKey is LQKKECPGVISTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-4-7-12(2)9-5-6-10-11-8-9/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of N-butyl-N-methylpyridazin-4-amine?
N-butyl-N-methylpyridazin-4-amine has a molecular weight of 165.24 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylpyridazin-4-amine is sourced from PubChem (CID 90878418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).