N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine

C14H19N5O — CID 103204537

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
SMILESCCN1CCOC(CNc2nnc3ccccc3n2)C1
InChIInChI=1S/C14H19N5O/c1-2-19-7-8-20-11(10-19)9-15-14-16-12-5-3-4-6-13(12)17-18-14/h3-6,11H,2,7-10H2,1H3,(H,15,16,18)
InChIKeyACUYFXTZGUPLJF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.16
Rot. Bonds4

About N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine

N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine (PubChem CID 103204537) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
PubChem CID103204537
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
SMILESCCN1CCOC(CNc2nnc3ccccc3n2)C1
InChIInChI=1S/C14H19N5O/c1-2-19-7-8-20-11(10-19)9-15-14-16-12-5-3-4-6-13(12)17-18-14/h3-6,11H,2,7-10H2,1H3,(H,15,16,18)
InChIKeyACUYFXTZGUPLJF-UHFFFAOYSA-N
XLogP1.16
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204381
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]quinoxalin-2-amine
CID 95319257
N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 113459925
N-[(4-ethylmorpholin-2-yl)methyl]quinolin-4-amine
CID 115620947
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 114400659
N-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 115619054
4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine
CID 114401447
2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 115619041
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline
CID 79166710
N-[(4-ethylmorpholin-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 104695446
2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline
CID 79164197

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine (CID 103204537) is N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine is CCN1CCOC(CNc2nnc3ccccc3n2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine?
The InChIKey is ACUYFXTZGUPLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-19-7-8-20-11(10-19)9-15-14-16-12-5-3-4-6-13(12)17-18-14/h3-6,11H,2,7-10H2,1H3,(H,15,16,18).
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine?
N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine has a molecular weight of 273.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).