6-(5-amino-1-methylpyrazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one

C15H18N4O2 — CID 117461922

IUPAC6-(5-amino-1-methylpyrazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)C(C)(C)Oc2ccc(-c3cc(N)n(C)n3)cc21
InChIInChI=1S/C15H18N4O2/c1-15(2)14(20)18(3)11-7-9(5-6-12(11)21-15)10-8-13(16)19(4)17-10/h5-8H,16H2,1-4H3
InChIKeySNTLDJIZCYRJRF-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.80
Rot. Bonds1

About 6-(5-amino-1-methylpyrazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one

6-(5-amino-1-methylpyrazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one (PubChem CID 117461922) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 6-(5-amino-1-methylpyrazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(5-amino-1-methylpyrazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one
PubChem CID117461922
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name6-(5-amino-1-methylpyrazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)C(C)(C)Oc2ccc(-c3cc(N)n(C)n3)cc21
InChIInChI=1S/C15H18N4O2/c1-15(2)14(20)18(3)11-7-9(5-6-12(11)21-15)10-8-13(16)19(4)17-10/h5-8H,16H2,1-4H3
InChIKeySNTLDJIZCYRJRF-UHFFFAOYSA-N
XLogP1.80
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,4-trimethyl-3-oxo-1,4-benzoxazine-6-carbaldehyde
CID 115031198
2,2,4-trimethyl-6-(methylamino)-1,4-benzoxazin-3-one
CID 59150306
6-(2-aminoethyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one
CID 82339584
6-(1-amino-2-methylpropyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one
CID 82028744
3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 43158870
6-[1-(aminomethyl)cyclopropyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one
CID 117405165
6-[1-(aminomethyl)cyclobutyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one
CID 117438709
6-(2-chloroacetyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one
CID 28815822
3-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 1471110
1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazol-5-amine
CID 75486820
6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one
CID 117357788
4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol
CID 136968433

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-1-methylpyrazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(5-amino-1-methylpyrazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one (CID 117461922) is 6-(5-amino-1-methylpyrazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(5-amino-1-methylpyrazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(5-amino-1-methylpyrazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one is CN1C(=O)C(C)(C)Oc2ccc(-c3cc(N)n(C)n3)cc21.
What is the InChIKey of 6-(5-amino-1-methylpyrazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one?
The InChIKey is SNTLDJIZCYRJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-15(2)14(20)18(3)11-7-9(5-6-12(11)21-15)10-8-13(16)19(4)17-10/h5-8H,16H2,1-4H3.
What are the key properties of 6-(5-amino-1-methylpyrazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one?
6-(5-amino-1-methylpyrazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one has a molecular weight of 286.34 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-1-methylpyrazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 117461922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).