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

C9H12N6O2 — CID 54885151

IUPAC1-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCc2ncn[nH]2)CCC1=O
InChIInChI=1S/C9H12N6O2/c1-15-8(16)3-2-6(14-15)9(17)10-4-7-11-5-12-13-7/h5H,2-4H2,1H3,(H,10,17)(H,11,12,13)
InChIKeyNQQCFSZKYGKJMD-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.97
Rot. Bonds3

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

1-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 54885151) has the molecular formula C9H12N6O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID54885151
Molecular FormulaC9H12N6O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name1-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCc2ncn[nH]2)CCC1=O
InChIInChI=1S/C9H12N6O2/c1-15-8(16)3-2-6(14-15)9(17)10-4-7-11-5-12-13-7/h5H,2-4H2,1H3,(H,10,17)(H,11,12,13)
InChIKeyNQQCFSZKYGKJMD-UHFFFAOYSA-N
XLogP-0.97
TPSA103.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-4,5-dihydropyridazine-3-carboxamide (CID 54885151) is 1-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)NCc2ncn[nH]2)CCC1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is NQQCFSZKYGKJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c1-15-8(16)3-2-6(14-15)9(17)10-4-7-11-5-12-13-7/h5H,2-4H2,1H3,(H,10,17)(H,11,12,13).
What are the key properties of 1-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-4,5-dihydropyridazine-3-carboxamide?
1-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 236.23 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 54885151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).