3,4-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide

C10H12N6O2 — CID 54884765

IUPAC3,4-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NCc2ncn[nH]2)c1C
InChIInChI=1S/C10H12N6O2/c1-5-6(2)14-16-10(18)8(5)9(17)11-3-7-12-4-13-15-7/h4H,3H2,1-2H3,(H,11,17)(H,16,18)(H,12,13,15)
InChIKeyFZAJBSQWCSPSQG-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.57
Rot. Bonds3

About 3,4-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide

3,4-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide (PubChem CID 54884765) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 3,4-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide
PubChem CID54884765
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name3,4-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NCc2ncn[nH]2)c1C
InChIInChI=1S/C10H12N6O2/c1-5-6(2)14-16-10(18)8(5)9(17)11-3-7-12-4-13-15-7/h4H,3H2,1-2H3,(H,11,17)(H,16,18)(H,12,13,15)
InChIKeyFZAJBSQWCSPSQG-UHFFFAOYSA-N
XLogP-0.57
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide?
The IUPAC name of 3,4-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide (CID 54884765) is 3,4-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3,4-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3,4-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide is Cc1n[nH]c(=O)c(C(=O)NCc2ncn[nH]2)c1C.
What is the InChIKey of 3,4-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide?
The InChIKey is FZAJBSQWCSPSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-5-6(2)14-16-10(18)8(5)9(17)11-3-7-12-4-13-15-7/h4H,3H2,1-2H3,(H,11,17)(H,16,18)(H,12,13,15).
What are the key properties of 3,4-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide?
3,4-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide has a molecular weight of 248.25 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 54884765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).