6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide

C11H16N4O2 — CID 62154308

IUPAC6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(N)nn1)C1CCOCC1
InChIInChI=1S/C11H16N4O2/c1-15(8-4-6-17-7-5-8)11(16)9-2-3-10(12)14-13-9/h2-3,8H,4-7H2,1H3,(H2,12,14)
InChIKeyBKTBTPJWKKOOLM-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.31
Rot. Bonds2

About 6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide

6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide (PubChem CID 62154308) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide
PubChem CID62154308
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(N)nn1)C1CCOCC1
InChIInChI=1S/C11H16N4O2/c1-15(8-4-6-17-7-5-8)11(16)9-2-3-10(12)14-13-9/h2-3,8H,4-7H2,1H3,(H2,12,14)
InChIKeyBKTBTPJWKKOOLM-UHFFFAOYSA-N
XLogP0.31
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide
CID 62154089
6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 62156515
2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601
3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
CID 70099626
3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide
CID 64524424
N-methyl-N-(oxan-4-yl)-1,3-thiazole-4-carboxamide
CID 63037211
2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
CID 61102317
3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 113386399
4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 55160806
3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide
CID 43610598
4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide
CID 43644107
1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide
CID 82743415

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide (CID 62154308) is 6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide is CN(C(=O)c1ccc(N)nn1)C1CCOCC1.
What is the InChIKey of 6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide?
The InChIKey is BKTBTPJWKKOOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15(8-4-6-17-7-5-8)11(16)9-2-3-10(12)14-13-9/h2-3,8H,4-7H2,1H3,(H2,12,14).
What are the key properties of 6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide?
6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 62154308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).