1-[(3-methylmorpholin-4-yl)methyl]-2H-1,3,5-triazin-4-amine

C9H17N5O — CID 57132672

IUPAC1-[(3-methylmorpholin-4-yl)methyl]-2H-1,3,5-triazin-4-amine
SMILESCC1COCCN1CN1C=NC(N)=NC1
InChIInChI=1S/C9H17N5O/c1-8-4-15-3-2-14(8)7-13-5-11-9(10)12-6-13/h5,8H,2-4,6-7H2,1H3,(H2,10,12)
InChIKeyXNQKWZHICZUUDO-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.72
Rot. Bonds2

About 1-[(3-methylmorpholin-4-yl)methyl]-2H-1,3,5-triazin-4-amine

1-[(3-methylmorpholin-4-yl)methyl]-2H-1,3,5-triazin-4-amine (PubChem CID 57132672) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-[(3-methylmorpholin-4-yl)methyl]-2H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name1-[(3-methylmorpholin-4-yl)methyl]-2H-1,3,5-triazin-4-amine
PubChem CID57132672
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name1-[(3-methylmorpholin-4-yl)methyl]-2H-1,3,5-triazin-4-amine
SMILESCC1COCCN1CN1C=NC(N)=NC1
InChIInChI=1S/C9H17N5O/c1-8-4-15-3-2-14(8)7-13-5-11-9(10)12-6-13/h5,8H,2-4,6-7H2,1H3,(H2,10,12)
InChIKeyXNQKWZHICZUUDO-UHFFFAOYSA-N
XLogP-0.72
TPSA66.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylmorpholin-4-yl)methyl]-2H-1,3,5-triazin-4-amine?
The IUPAC name of 1-[(3-methylmorpholin-4-yl)methyl]-2H-1,3,5-triazin-4-amine (CID 57132672) is 1-[(3-methylmorpholin-4-yl)methyl]-2H-1,3,5-triazin-4-amine.
What is the SMILES notation for 1-[(3-methylmorpholin-4-yl)methyl]-2H-1,3,5-triazin-4-amine?
The canonical SMILES for 1-[(3-methylmorpholin-4-yl)methyl]-2H-1,3,5-triazin-4-amine is CC1COCCN1CN1C=NC(N)=NC1.
What is the InChIKey of 1-[(3-methylmorpholin-4-yl)methyl]-2H-1,3,5-triazin-4-amine?
The InChIKey is XNQKWZHICZUUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-8-4-15-3-2-14(8)7-13-5-11-9(10)12-6-13/h5,8H,2-4,6-7H2,1H3,(H2,10,12).
What are the key properties of 1-[(3-methylmorpholin-4-yl)methyl]-2H-1,3,5-triazin-4-amine?
1-[(3-methylmorpholin-4-yl)methyl]-2H-1,3,5-triazin-4-amine has a molecular weight of 211.27 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylmorpholin-4-yl)methyl]-2H-1,3,5-triazin-4-amine is sourced from PubChem (CID 57132672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).