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

C11H14N6O2 — CID 64512176

IUPACN,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccc(=O)n(C)n2)n[nH]1
InChIInChI=1S/C11H14N6O2/c1-7-12-9(14-13-7)6-16(2)11(19)8-4-5-10(18)17(3)15-8/h4-5H,6H2,1-3H3,(H,12,13,14)
InChIKeyYLDCUNVHYISUMQ-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.52
Rot. Bonds3

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

N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 64512176) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID64512176
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC NameN,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccc(=O)n(C)n2)n[nH]1
InChIInChI=1S/C11H14N6O2/c1-7-12-9(14-13-7)6-16(2)11(19)8-4-5-10(18)17(3)15-8/h4-5H,6H2,1-3H3,(H,12,13,14)
InChIKeyYLDCUNVHYISUMQ-UHFFFAOYSA-N
XLogP-0.52
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopyridazine-3-carboxamide (CID 64512176) is N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopyridazine-3-carboxamide is Cc1nc(CN(C)C(=O)c2ccc(=O)n(C)n2)n[nH]1.
What is the InChIKey of N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is YLDCUNVHYISUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-7-12-9(14-13-7)6-16(2)11(19)8-4-5-10(18)17(3)15-8/h4-5H,6H2,1-3H3,(H,12,13,14).
What are the key properties of N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopyridazine-3-carboxamide?
N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 262.27 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 64512176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).