N-benzyl-N-(2-chloroethyl)-6-methylpyridazin-3-amine

C14H16ClN3 — CID 55183680

IUPACN-benzyl-N-(2-chloroethyl)-6-methylpyridazin-3-amine
SMILESCc1ccc(N(CCCl)Cc2ccccc2)nn1
InChIInChI=1S/C14H16ClN3/c1-12-7-8-14(17-16-12)18(10-9-15)11-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3
InChIKeySXGZQVBBJPWWNY-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.03
Rot. Bonds5

About N-benzyl-N-(2-chloroethyl)-6-methylpyridazin-3-amine

N-benzyl-N-(2-chloroethyl)-6-methylpyridazin-3-amine (PubChem CID 55183680) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-benzyl-N-(2-chloroethyl)-6-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-benzyl-N-(2-chloroethyl)-6-methylpyridazin-3-amine
PubChem CID55183680
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-benzyl-N-(2-chloroethyl)-6-methylpyridazin-3-amine
SMILESCc1ccc(N(CCCl)Cc2ccccc2)nn1
InChIInChI=1S/C14H16ClN3/c1-12-7-8-14(17-16-12)18(10-9-15)11-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3
InChIKeySXGZQVBBJPWWNY-UHFFFAOYSA-N
XLogP3.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-chloroethyl)-6-methylpyridazin-3-amine?
The IUPAC name of N-benzyl-N-(2-chloroethyl)-6-methylpyridazin-3-amine (CID 55183680) is N-benzyl-N-(2-chloroethyl)-6-methylpyridazin-3-amine.
What is the SMILES notation for N-benzyl-N-(2-chloroethyl)-6-methylpyridazin-3-amine?
The canonical SMILES for N-benzyl-N-(2-chloroethyl)-6-methylpyridazin-3-amine is Cc1ccc(N(CCCl)Cc2ccccc2)nn1.
What is the InChIKey of N-benzyl-N-(2-chloroethyl)-6-methylpyridazin-3-amine?
The InChIKey is SXGZQVBBJPWWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-12-7-8-14(17-16-12)18(10-9-15)11-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3.
What are the key properties of N-benzyl-N-(2-chloroethyl)-6-methylpyridazin-3-amine?
N-benzyl-N-(2-chloroethyl)-6-methylpyridazin-3-amine has a molecular weight of 261.76 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-chloroethyl)-6-methylpyridazin-3-amine is sourced from PubChem (CID 55183680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).