6-chloro-N-ethyl-4,5-dimethyl-N-phenylpyridazin-3-amine

C14H16ClN3 — CID 63271493

IUPAC6-chloro-N-ethyl-4,5-dimethyl-N-phenylpyridazin-3-amine
SMILESCCN(c1ccccc1)c1nnc(Cl)c(C)c1C
InChIInChI=1S/C14H16ClN3/c1-4-18(12-8-6-5-7-9-12)14-11(3)10(2)13(15)16-17-14/h5-9H,4H2,1-3H3
InChIKeyOUYMALPBVRWMCI-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.90
Rot. Bonds3

About 6-chloro-N-ethyl-4,5-dimethyl-N-phenylpyridazin-3-amine

6-chloro-N-ethyl-4,5-dimethyl-N-phenylpyridazin-3-amine (PubChem CID 63271493) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-chloro-N-ethyl-4,5-dimethyl-N-phenylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-4,5-dimethyl-N-phenylpyridazin-3-amine
PubChem CID63271493
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-chloro-N-ethyl-4,5-dimethyl-N-phenylpyridazin-3-amine
SMILESCCN(c1ccccc1)c1nnc(Cl)c(C)c1C
InChIInChI=1S/C14H16ClN3/c1-4-18(12-8-6-5-7-9-12)14-11(3)10(2)13(15)16-17-14/h5-9H,4H2,1-3H3
InChIKeyOUYMALPBVRWMCI-UHFFFAOYSA-N
XLogP3.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-4,5-dimethyl-N-phenylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-ethyl-4,5-dimethyl-N-phenylpyridazin-3-amine (CID 63271493) is 6-chloro-N-ethyl-4,5-dimethyl-N-phenylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-ethyl-4,5-dimethyl-N-phenylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-ethyl-4,5-dimethyl-N-phenylpyridazin-3-amine is CCN(c1ccccc1)c1nnc(Cl)c(C)c1C.
What is the InChIKey of 6-chloro-N-ethyl-4,5-dimethyl-N-phenylpyridazin-3-amine?
The InChIKey is OUYMALPBVRWMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-4-18(12-8-6-5-7-9-12)14-11(3)10(2)13(15)16-17-14/h5-9H,4H2,1-3H3.
What are the key properties of 6-chloro-N-ethyl-4,5-dimethyl-N-phenylpyridazin-3-amine?
6-chloro-N-ethyl-4,5-dimethyl-N-phenylpyridazin-3-amine has a molecular weight of 261.76 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-4,5-dimethyl-N-phenylpyridazin-3-amine is sourced from PubChem (CID 63271493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).