ethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate

C14H18N4O2 — CID 103204951

IUPACethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)c1nnc2ccccc2n1
InChIInChI=1S/C14H18N4O2/c1-3-9-18(10-13(19)20-4-2)14-15-11-7-5-6-8-12(11)16-17-14/h5-8H,3-4,9-10H2,1-2H3
InChIKeyRCNODCVOAAXSFO-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.80
Rot. Bonds6

About ethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate

ethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate (PubChem CID 103204951) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate
PubChem CID103204951
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nameethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)c1nnc2ccccc2n1
InChIInChI=1S/C14H18N4O2/c1-3-9-18(10-13(19)20-4-2)14-15-11-7-5-6-8-12(11)16-17-14/h5-8H,3-4,9-10H2,1-2H3
InChIKeyRCNODCVOAAXSFO-UHFFFAOYSA-N
XLogP1.80
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[propyl(quinoxalin-2-yl)amino]acetate
CID 62358589
methyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate
CID 103204961
ethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate
CID 64584141
ethyl 2-[propyl(pyridin-4-yl)amino]acetate
CID 62006270
ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate
CID 112706252
ethyl 2-(N-propyl-2-sulfamoylanilino)acetate
CID 62007209
ethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate
CID 114789698
ethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate
CID 62004564
ethyl 2-(2-carbamothioyl-6-methyl-N-propylanilino)acetate
CID 107108105
3-[1,2,4-benzotriazin-3-yl(ethyl)amino]-N'-hydroxypropanimidamide
CID 103203991
3-[1,2,4-benzotriazin-3-yl(ethyl)amino]-2-methylpropanoic acid
CID 103203754
ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
CID 103907749

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate?
The IUPAC name of ethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate (CID 103204951) is ethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate.
What is the SMILES notation for ethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate?
The canonical SMILES for ethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate is CCCN(CC(=O)OCC)c1nnc2ccccc2n1.
What is the InChIKey of ethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate?
The InChIKey is RCNODCVOAAXSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-9-18(10-13(19)20-4-2)14-15-11-7-5-6-8-12(11)16-17-14/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of ethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate?
ethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate has a molecular weight of 274.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate is sourced from PubChem (CID 103204951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).