(3-pyrimidin-4-ylsulfanylpyridazin-4-yl)methanamine

C9H9N5S — CID 80514580

IUPAC(3-pyrimidin-4-ylsulfanylpyridazin-4-yl)methanamine
SMILESNCc1ccnnc1Sc1ccncn1
InChIInChI=1S/C9H9N5S/c10-5-7-1-4-13-14-9(7)15-8-2-3-11-6-12-8/h1-4,6H,5,10H2
InChIKeyJMQNGLSLTVGWOH-UHFFFAOYSA-N
MW219.27 g/mol
LogP0.88
Rot. Bonds3

About (3-pyrimidin-4-ylsulfanylpyridazin-4-yl)methanamine

(3-pyrimidin-4-ylsulfanylpyridazin-4-yl)methanamine (PubChem CID 80514580) has the molecular formula C9H9N5S and a molecular weight of 219.27 g/mol. Its IUPAC name is (3-pyrimidin-4-ylsulfanylpyridazin-4-yl)methanamine.

Molecular Properties

Compound Name(3-pyrimidin-4-ylsulfanylpyridazin-4-yl)methanamine
PubChem CID80514580
Molecular FormulaC9H9N5S
Molecular Weight219.27 g/mol
Exact Mass219.06
IUPAC Name(3-pyrimidin-4-ylsulfanylpyridazin-4-yl)methanamine
SMILESNCc1ccnnc1Sc1ccncn1
InChIInChI=1S/C9H9N5S/c10-5-7-1-4-13-14-9(7)15-8-2-3-11-6-12-8/h1-4,6H,5,10H2
InChIKeyJMQNGLSLTVGWOH-UHFFFAOYSA-N
XLogP0.88
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-pyrimidin-4-ylsulfanylpyridazin-4-yl)methanamine?
The IUPAC name of (3-pyrimidin-4-ylsulfanylpyridazin-4-yl)methanamine (CID 80514580) is (3-pyrimidin-4-ylsulfanylpyridazin-4-yl)methanamine.
What is the SMILES notation for (3-pyrimidin-4-ylsulfanylpyridazin-4-yl)methanamine?
The canonical SMILES for (3-pyrimidin-4-ylsulfanylpyridazin-4-yl)methanamine is NCc1ccnnc1Sc1ccncn1.
What is the InChIKey of (3-pyrimidin-4-ylsulfanylpyridazin-4-yl)methanamine?
The InChIKey is JMQNGLSLTVGWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5S/c10-5-7-1-4-13-14-9(7)15-8-2-3-11-6-12-8/h1-4,6H,5,10H2.
What are the key properties of (3-pyrimidin-4-ylsulfanylpyridazin-4-yl)methanamine?
(3-pyrimidin-4-ylsulfanylpyridazin-4-yl)methanamine has a molecular weight of 219.27 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrimidin-4-ylsulfanylpyridazin-4-yl)methanamine is sourced from PubChem (CID 80514580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).