1-(1-ethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine

C14H13N5O — CID 138806888

IUPAC1-(1-ethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESCCn1ccc(-c2nnc3n2-c2ccccc2OC3)n1
InChIInChI=1S/C14H13N5O/c1-2-18-8-7-10(17-18)14-16-15-13-9-20-12-6-4-3-5-11(12)19(13)14/h3-8H,2,9H2,1H3
InChIKeyDNTVWKRLSNONGK-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.04
Rot. Bonds2

About 1-(1-ethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine

1-(1-ethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (PubChem CID 138806888) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
PubChem CID138806888
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name1-(1-ethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESCCn1ccc(-c2nnc3n2-c2ccccc2OC3)n1
InChIInChI=1S/C14H13N5O/c1-2-18-8-7-10(17-18)14-16-15-13-9-20-12-6-4-3-5-11(12)19(13)14/h3-8H,2,9H2,1H3
InChIKeyDNTVWKRLSNONGK-UHFFFAOYSA-N
XLogP2.04
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1-ethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
CID 138810152
1-propyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
CID 24847216
1-(1-pyrazol-1-ylethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
CID 138809818
4H-tetrazolo[5,1-c][1,4]benzoxazine
CID 14900504
7-ethyl-3-(1-ethylpyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 138384192
1-ethyl-3-(1-methylpyrazol-3-yl)pyrazole
CID 175388618
ethyl 3-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-1-carboxylate
CID 86737528
4-(2,6-dimethoxyphenyl)-5-(1-ethylpyrazol-3-yl)-1,2,4-triazole-3-carboxylic acid
CID 175075529
1-piperidin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine;hydrochloride
CID 154924166
3-(3,4-dihydro-2H-quinolin-1-yl)-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole
CID 170163111
4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid
CID 12909287
3-ethyl-2H-1,3-benzoxazole
CID 19969378

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The IUPAC name of 1-(1-ethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (CID 138806888) is 1-(1-ethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.
What is the SMILES notation for 1-(1-ethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The canonical SMILES for 1-(1-ethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is CCn1ccc(-c2nnc3n2-c2ccccc2OC3)n1.
What is the InChIKey of 1-(1-ethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The InChIKey is DNTVWKRLSNONGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-2-18-8-7-10(17-18)14-16-15-13-9-20-12-6-4-3-5-11(12)19(13)14/h3-8H,2,9H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
1-(1-ethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine has a molecular weight of 267.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is sourced from PubChem (CID 138806888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).