6-chloro-N-methylpyridazin-3-amine

C5H6ClN3 — CID 588540

IUPAC6-chloro-N-methylpyridazin-3-amine
SMILESCNc1ccc(Cl)nn1
InChIInChI=1S/C5H6ClN3/c1-7-5-3-2-4(6)8-9-5/h2-3H,1H3,(H,7,9)
InChIKeyIHSYIVAZIINDFR-UHFFFAOYSA-N
MW143.58 g/mol
LogP1.17
Rot. Bonds1

About 6-chloro-N-methylpyridazin-3-amine

6-chloro-N-methylpyridazin-3-amine (PubChem CID 588540) has the molecular formula C5H6ClN3 and a molecular weight of 143.58 g/mol. Its IUPAC name is 6-chloro-N-methylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-methylpyridazin-3-amine
PubChem CID588540
Molecular FormulaC5H6ClN3
Molecular Weight143.58 g/mol
Exact Mass143.03
IUPAC Name6-chloro-N-methylpyridazin-3-amine
SMILESCNc1ccc(Cl)nn1
InChIInChI=1S/C5H6ClN3/c1-7-5-3-2-4(6)8-9-5/h2-3H,1H3,(H,7,9)
InChIKeyIHSYIVAZIINDFR-UHFFFAOYSA-N
XLogP1.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.58
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-methylpyridazin-3-amine (CID 588540) is 6-chloro-N-methylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-methylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-methylpyridazin-3-amine is CNc1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-methylpyridazin-3-amine?
The InChIKey is IHSYIVAZIINDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3/c1-7-5-3-2-4(6)8-9-5/h2-3H,1H3,(H,7,9).
What are the key properties of 6-chloro-N-methylpyridazin-3-amine?
6-chloro-N-methylpyridazin-3-amine has a molecular weight of 143.58 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methylpyridazin-3-amine is sourced from PubChem (CID 588540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).