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

C13H17N5O — CID 103204381

IUPACN-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
SMILESCN1CCOC(CNc2nnc3ccccc3n2)C1
InChIInChI=1S/C13H17N5O/c1-18-6-7-19-10(9-18)8-14-13-15-11-4-2-3-5-12(11)16-17-13/h2-5,10H,6-9H2,1H3,(H,14,15,17)
InChIKeyJXKFCZMZKJYBPH-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.77
Rot. Bonds3

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

N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine (PubChem CID 103204381) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
PubChem CID103204381
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
SMILESCN1CCOC(CNc2nnc3ccccc3n2)C1
InChIInChI=1S/C13H17N5O/c1-18-6-7-19-10(9-18)8-14-13-15-11-4-2-3-5-12(11)16-17-13/h2-5,10H,6-9H2,1H3,(H,14,15,17)
InChIKeyJXKFCZMZKJYBPH-UHFFFAOYSA-N
XLogP0.77
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204537
4,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine
CID 78952498
5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370
6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
CID 79070964
3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 79071706
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95160947
2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
CID 78916182
2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzenecarbothioamide
CID 79071213
N-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 112638136
N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95159798
N-(oxan-3-ylmethyl)-1,2,4-benzotriazin-3-amine
CID 103204139
6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80850407

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine (CID 103204381) is N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine is CN1CCOC(CNc2nnc3ccccc3n2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine?
The InChIKey is JXKFCZMZKJYBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-18-6-7-19-10(9-18)8-14-13-15-11-4-2-3-5-12(11)16-17-13/h2-5,10H,6-9H2,1H3,(H,14,15,17).
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine?
N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine has a molecular weight of 259.31 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).