[5-(3-methyl-2H-thieno[2,3-c]pyrazol-5-yl)pyridazin-4-yl]methanamine

C11H11N5S — CID 82384961

IUPAC[5-(3-methyl-2H-thieno[2,3-c]pyrazol-5-yl)pyridazin-4-yl]methanamine
SMILESCc1[nH]nc2sc(-c3cnncc3CN)cc12
InChIInChI=1S/C11H11N5S/c1-6-8-2-10(17-11(8)16-15-6)9-5-14-13-4-7(9)3-12/h2,4-5H,3,12H2,1H3,(H,15,16)
InChIKeyXTJOGXQDWXJQHQ-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.85
Rot. Bonds2

About [5-(3-methyl-2H-thieno[2,3-c]pyrazol-5-yl)pyridazin-4-yl]methanamine

[5-(3-methyl-2H-thieno[2,3-c]pyrazol-5-yl)pyridazin-4-yl]methanamine (PubChem CID 82384961) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is [5-(3-methyl-2H-thieno[2,3-c]pyrazol-5-yl)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methyl-2H-thieno[2,3-c]pyrazol-5-yl)pyridazin-4-yl]methanamine
PubChem CID82384961
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name[5-(3-methyl-2H-thieno[2,3-c]pyrazol-5-yl)pyridazin-4-yl]methanamine
SMILESCc1[nH]nc2sc(-c3cnncc3CN)cc12
InChIInChI=1S/C11H11N5S/c1-6-8-2-10(17-11(8)16-15-6)9-5-14-13-4-7(9)3-12/h2,4-5H,3,12H2,1H3,(H,15,16)
InChIKeyXTJOGXQDWXJQHQ-UHFFFAOYSA-N
XLogP1.85
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-methyl-1H-indol-5-yl)pyridazin-4-yl]methanamine
CID 82388683
(3,7-dimethyl-2H-indazol-6-yl)methanamine
CID 117109635
[2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine
CID 82506261
[5-(2-methylpyrazol-3-yl)pyridazin-4-yl]methanamine
CID 82404490
(3,4-dimethyl-2H-thieno[2,3-c]pyrazol-5-yl)methanamine
CID 82503896
(3-methyl-2H-indazol-6-yl)methanamine;dihydrochloride
CID 170918567
[5-(1-methylpyrazol-4-yl)pyridazin-4-yl]methanamine
CID 82404489
[5-(2,5-dimethylindolizin-3-yl)pyridazin-4-yl]methanamine
CID 82382236
(5-methyl-1H-pyrazol-3-yl)methanamine;hydrochloride
CID 12983921
ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine
CID 156737353
(7-methoxy-3-methyl-2H-indazol-5-yl)methanamine
CID 117109639
4-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)aniline;hydrochloride
CID 90421309

Frequently Asked Questions

What is the IUPAC name of [5-(3-methyl-2H-thieno[2,3-c]pyrazol-5-yl)pyridazin-4-yl]methanamine?
The IUPAC name of [5-(3-methyl-2H-thieno[2,3-c]pyrazol-5-yl)pyridazin-4-yl]methanamine (CID 82384961) is [5-(3-methyl-2H-thieno[2,3-c]pyrazol-5-yl)pyridazin-4-yl]methanamine.
What is the SMILES notation for [5-(3-methyl-2H-thieno[2,3-c]pyrazol-5-yl)pyridazin-4-yl]methanamine?
The canonical SMILES for [5-(3-methyl-2H-thieno[2,3-c]pyrazol-5-yl)pyridazin-4-yl]methanamine is Cc1[nH]nc2sc(-c3cnncc3CN)cc12.
What is the InChIKey of [5-(3-methyl-2H-thieno[2,3-c]pyrazol-5-yl)pyridazin-4-yl]methanamine?
The InChIKey is XTJOGXQDWXJQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-6-8-2-10(17-11(8)16-15-6)9-5-14-13-4-7(9)3-12/h2,4-5H,3,12H2,1H3,(H,15,16).
What are the key properties of [5-(3-methyl-2H-thieno[2,3-c]pyrazol-5-yl)pyridazin-4-yl]methanamine?
[5-(3-methyl-2H-thieno[2,3-c]pyrazol-5-yl)pyridazin-4-yl]methanamine has a molecular weight of 245.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methyl-2H-thieno[2,3-c]pyrazol-5-yl)pyridazin-4-yl]methanamine is sourced from PubChem (CID 82384961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).