(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanamine

C10H9N5S — CID 90009339

IUPAC(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanamine
SMILESNCc1ccc2nnc(-c3cccs3)n2n1
InChIInChI=1S/C10H9N5S/c11-6-7-3-4-9-12-13-10(15(9)14-7)8-2-1-5-16-8/h1-5H,6,11H2
InChIKeyVEIIFXJLQBTFDS-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.31
Rot. Bonds2

About (3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanamine

(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanamine (PubChem CID 90009339) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is (3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanamine.

Molecular Properties

Compound Name(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanamine
PubChem CID90009339
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanamine
SMILESNCc1ccc2nnc(-c3cccs3)n2n1
InChIInChI=1S/C10H9N5S/c11-6-7-3-4-9-12-13-10(15(9)14-7)8-2-1-5-16-8/h1-5H,6,11H2
InChIKeyVEIIFXJLQBTFDS-UHFFFAOYSA-N
XLogP1.31
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
CID 82167237
methyl (2S)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanoate
CID 7190424
5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061325
4-methyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873607
N-cyclopentyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 7190364
2-thiophen-2-yl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 16872955
2-ethyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide
CID 7532569
2-ethoxy-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532568
1-chloro-3-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)anilino]propan-2-ol
CID 168640126
N-(4-acetylphenyl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 7190359
2,4,6-trimethyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873603
2-propyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide
CID 7532565

Frequently Asked Questions

What is the IUPAC name of (3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanamine?
The IUPAC name of (3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanamine (CID 90009339) is (3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanamine.
What is the SMILES notation for (3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanamine?
The canonical SMILES for (3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanamine is NCc1ccc2nnc(-c3cccs3)n2n1.
What is the InChIKey of (3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanamine?
The InChIKey is VEIIFXJLQBTFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c11-6-7-3-4-9-12-13-10(15(9)14-7)8-2-1-5-16-8/h1-5H,6,11H2.
What are the key properties of (3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanamine?
(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanamine has a molecular weight of 231.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanamine is sourced from PubChem (CID 90009339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).