N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C10H12N6O2 — CID 64510016

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccc(=O)[nH]n2)n[nH]1
InChIInChI=1S/C10H12N6O2/c1-6-11-8(14-12-6)5-16(2)10(18)7-3-4-9(17)15-13-7/h3-4H,5H2,1-2H3,(H,15,17)(H,11,12,14)
InChIKeyDQYMNGZLDZKLAU-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.53
Rot. Bonds3

About N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 64510016) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID64510016
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccc(=O)[nH]n2)n[nH]1
InChIInChI=1S/C10H12N6O2/c1-6-11-8(14-12-6)5-16(2)10(18)7-3-4-9(17)15-13-7/h3-4H,5H2,1-2H3,(H,15,17)(H,11,12,14)
InChIKeyDQYMNGZLDZKLAU-UHFFFAOYSA-N
XLogP-0.53
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 64510016) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is Cc1nc(CN(C)C(=O)c2ccc(=O)[nH]n2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is DQYMNGZLDZKLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-6-11-8(14-12-6)5-16(2)10(18)7-3-4-9(17)15-13-7/h3-4H,5H2,1-2H3,(H,15,17)(H,11,12,14).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 248.25 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 64510016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).