[4-(1,2,4-benzotriazin-3-yl)-6,6-dimethylmorpholin-2-yl]methanamine

C14H19N5O — CID 103205240

IUPAC[4-(1,2,4-benzotriazin-3-yl)-6,6-dimethylmorpholin-2-yl]methanamine
SMILESCC1(C)CN(c2nnc3ccccc3n2)CC(CN)O1
InChIInChI=1S/C14H19N5O/c1-14(2)9-19(8-10(7-15)20-14)13-16-11-5-3-4-6-12(11)17-18-13/h3-6,10H,7-9,15H2,1-2H3
InChIKeySYGPTTJTMOMFHK-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.97
Rot. Bonds2

About [4-(1,2,4-benzotriazin-3-yl)-6,6-dimethylmorpholin-2-yl]methanamine

[4-(1,2,4-benzotriazin-3-yl)-6,6-dimethylmorpholin-2-yl]methanamine (PubChem CID 103205240) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is [4-(1,2,4-benzotriazin-3-yl)-6,6-dimethylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(1,2,4-benzotriazin-3-yl)-6,6-dimethylmorpholin-2-yl]methanamine
PubChem CID103205240
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name[4-(1,2,4-benzotriazin-3-yl)-6,6-dimethylmorpholin-2-yl]methanamine
SMILESCC1(C)CN(c2nnc3ccccc3n2)CC(CN)O1
InChIInChI=1S/C14H19N5O/c1-14(2)9-19(8-10(7-15)20-14)13-16-11-5-3-4-6-12(11)17-18-13/h3-6,10H,7-9,15H2,1-2H3
InChIKeySYGPTTJTMOMFHK-UHFFFAOYSA-N
XLogP0.97
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1,2,4-benzotriazin-3-yl)-6,6-dimethylmorpholin-2-yl]methanamine?
The IUPAC name of [4-(1,2,4-benzotriazin-3-yl)-6,6-dimethylmorpholin-2-yl]methanamine (CID 103205240) is [4-(1,2,4-benzotriazin-3-yl)-6,6-dimethylmorpholin-2-yl]methanamine.
What is the SMILES notation for [4-(1,2,4-benzotriazin-3-yl)-6,6-dimethylmorpholin-2-yl]methanamine?
The canonical SMILES for [4-(1,2,4-benzotriazin-3-yl)-6,6-dimethylmorpholin-2-yl]methanamine is CC1(C)CN(c2nnc3ccccc3n2)CC(CN)O1.
What is the InChIKey of [4-(1,2,4-benzotriazin-3-yl)-6,6-dimethylmorpholin-2-yl]methanamine?
The InChIKey is SYGPTTJTMOMFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-14(2)9-19(8-10(7-15)20-14)13-16-11-5-3-4-6-12(11)17-18-13/h3-6,10H,7-9,15H2,1-2H3.
What are the key properties of [4-(1,2,4-benzotriazin-3-yl)-6,6-dimethylmorpholin-2-yl]methanamine?
[4-(1,2,4-benzotriazin-3-yl)-6,6-dimethylmorpholin-2-yl]methanamine has a molecular weight of 273.34 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2,4-benzotriazin-3-yl)-6,6-dimethylmorpholin-2-yl]methanamine is sourced from PubChem (CID 103205240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).