N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide

C12H15N5O2 — CID 31845207

IUPACN,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C12H15N5O2/c1-15(7-9-6-13-16(2)8-9)12(19)10-4-5-11(18)17(3)14-10/h4-6,8H,7H2,1-3H3
InChIKeyVYAFRBGEPNBAHB-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.21
Rot. Bonds3

About N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide

N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 31845207) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID31845207
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC NameN,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C12H15N5O2/c1-15(7-9-6-13-16(2)8-9)12(19)10-4-5-11(18)17(3)14-10/h4-6,8H,7H2,1-3H3
InChIKeyVYAFRBGEPNBAHB-UHFFFAOYSA-N
XLogP-0.21
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide (CID 31845207) is N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is VYAFRBGEPNBAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-15(7-9-6-13-16(2)8-9)12(19)10-4-5-11(18)17(3)14-10/h4-6,8H,7H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide?
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 261.29 g/mol, XLogP of -0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 31845207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).