3-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile

C19H23N5O — CID 71898845

IUPAC3-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCN1CC(CN(C)c2nnc(C)c(C)c2C#N)Oc2ccccc21
InChIInChI=1S/C19H23N5O/c1-5-24-12-15(25-18-9-7-6-8-17(18)24)11-23(4)19-16(10-20)13(2)14(3)21-22-19/h6-9,15H,5,11-12H2,1-4H3
InChIKeyUXSWECNLJVONKI-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.69
Rot. Bonds4

About 3-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile

3-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 71898845) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID71898845
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCN1CC(CN(C)c2nnc(C)c(C)c2C#N)Oc2ccccc21
InChIInChI=1S/C19H23N5O/c1-5-24-12-15(25-18-9-7-6-8-17(18)24)11-23(4)19-16(10-20)13(2)14(3)21-22-19/h6-9,15H,5,11-12H2,1-4H3
InChIKeyUXSWECNLJVONKI-UHFFFAOYSA-N
XLogP2.69
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile (CID 71898845) is 3-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile is CCN1CC(CN(C)c2nnc(C)c(C)c2C#N)Oc2ccccc21.
What is the InChIKey of 3-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is UXSWECNLJVONKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-5-24-12-15(25-18-9-7-6-8-17(18)24)11-23(4)19-16(10-20)13(2)14(3)21-22-19/h6-9,15H,5,11-12H2,1-4H3.
What are the key properties of 3-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 337.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 71898845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).