6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylpyridazine-3-carboxamide

C12H15N5O2 — CID 103718427

IUPAC6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCc2nc(C)c(C)o2)nn1
InChIInChI=1S/C12H15N5O2/c1-7-8(2)19-11(15-7)6-14-10-5-4-9(16-17-10)12(18)13-3/h4-5H,6H2,1-3H3,(H,13,18)(H,14,17)
InChIKeyLVPPKDKPLUUNNQ-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.05
Rot. Bonds4

About 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylpyridazine-3-carboxamide

6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 103718427) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylpyridazine-3-carboxamide
PubChem CID103718427
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCc2nc(C)c(C)o2)nn1
InChIInChI=1S/C12H15N5O2/c1-7-8(2)19-11(15-7)6-14-10-5-4-9(16-17-10)12(18)13-3/h4-5H,6H2,1-3H3,(H,13,18)(H,14,17)
InChIKeyLVPPKDKPLUUNNQ-UHFFFAOYSA-N
XLogP1.05
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylpyridazine-3-carboxamide (CID 103718427) is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCc2nc(C)c(C)o2)nn1.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is LVPPKDKPLUUNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-8(2)19-11(15-7)6-14-10-5-4-9(16-17-10)12(18)13-3/h4-5H,6H2,1-3H3,(H,13,18)(H,14,17).
What are the key properties of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylpyridazine-3-carboxamide?
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 261.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 103718427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).