3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propane-1,2-diol

C7H13N5O2 — CID 90392510

IUPAC3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propane-1,2-diol
SMILESCc1nc(N)nc(NCC(O)CO)n1
InChIInChI=1S/C7H13N5O2/c1-4-10-6(8)12-7(11-4)9-2-5(14)3-13/h5,13-14H,2-3H2,1H3,(H3,8,9,10,11,12)
InChIKeyLONJPSFRYUTORQ-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.47
Rot. Bonds4

About 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propane-1,2-diol

3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propane-1,2-diol (PubChem CID 90392510) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propane-1,2-diol
PubChem CID90392510
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propane-1,2-diol
SMILESCc1nc(N)nc(NCC(O)CO)n1
InChIInChI=1S/C7H13N5O2/c1-4-10-6(8)12-7(11-4)9-2-5(14)3-13/h5,13-14H,2-3H2,1H3,(H3,8,9,10,11,12)
InChIKeyLONJPSFRYUTORQ-UHFFFAOYSA-N
XLogP-1.47
TPSA117.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propane-1,2-diol (CID 90392510) is 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propane-1,2-diol is Cc1nc(N)nc(NCC(O)CO)n1.
What is the InChIKey of 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propane-1,2-diol?
The InChIKey is LONJPSFRYUTORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-4-10-6(8)12-7(11-4)9-2-5(14)3-13/h5,13-14H,2-3H2,1H3,(H3,8,9,10,11,12).
What are the key properties of 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propane-1,2-diol?
3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propane-1,2-diol has a molecular weight of 199.21 g/mol, XLogP of -1.47, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]propane-1,2-diol is sourced from PubChem (CID 90392510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).