1-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide

C10H10N4O2S — CID 31304889

IUPAC1-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)/N=c2\sccn2C)ccc1=O
InChIInChI=1S/C10H10N4O2S/c1-13-5-6-17-10(13)11-9(16)7-3-4-8(15)14(2)12-7/h3-6H,1-2H3/b11-10-
InChIKeyBWXGUTKUWKDHHH-KHPPLWFESA-N
MW250.28 g/mol
LogP-0.08
Rot. Bonds1

About 1-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide

1-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide (PubChem CID 31304889) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide
PubChem CID31304889
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name1-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)/N=c2\sccn2C)ccc1=O
InChIInChI=1S/C10H10N4O2S/c1-13-5-6-17-10(13)11-9(16)7-3-4-8(15)14(2)12-7/h3-6H,1-2H3/b11-10-
InChIKeyBWXGUTKUWKDHHH-KHPPLWFESA-N
XLogP-0.08
TPSA69.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide (CID 31304889) is 1-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)/N=c2\sccn2C)ccc1=O.
What is the InChIKey of 1-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide?
The InChIKey is BWXGUTKUWKDHHH-KHPPLWFESA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-13-5-6-17-10(13)11-9(16)7-3-4-8(15)14(2)12-7/h3-6H,1-2H3/b11-10-.
What are the key properties of 1-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide?
1-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide has a molecular weight of 250.28 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 31304889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).