2-[(2,4,6-triamino-1H-1,3,5-triazin-4-yl)amino]propan-1-ol

C6H15N7O — CID 23221592

IUPAC2-[(2,4,6-triamino-1H-1,3,5-triazin-4-yl)amino]propan-1-ol
SMILESCC(CO)NC1(N)N=C(N)NC(N)=N1
InChIInChI=1S/C6H15N7O/c1-3(2-14)11-6(9)12-4(7)10-5(8)13-6/h3,11,14H,2,9H2,1H3,(H5,7,8,10,12,13)
InChIKeyKWRODPDEHYBYAS-UHFFFAOYSA-N
MW201.23 g/mol
LogP-3.24
Rot. Bonds3

About 2-[(2,4,6-triamino-1H-1,3,5-triazin-4-yl)amino]propan-1-ol

2-[(2,4,6-triamino-1H-1,3,5-triazin-4-yl)amino]propan-1-ol (PubChem CID 23221592) has the molecular formula C6H15N7O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-[(2,4,6-triamino-1H-1,3,5-triazin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(2,4,6-triamino-1H-1,3,5-triazin-4-yl)amino]propan-1-ol
PubChem CID23221592
Molecular FormulaC6H15N7O
Molecular Weight201.23 g/mol
Exact Mass201.13
IUPAC Name2-[(2,4,6-triamino-1H-1,3,5-triazin-4-yl)amino]propan-1-ol
SMILESCC(CO)NC1(N)N=C(N)NC(N)=N1
InChIInChI=1S/C6H15N7O/c1-3(2-14)11-6(9)12-4(7)10-5(8)13-6/h3,11,14H,2,9H2,1H3,(H5,7,8,10,12,13)
InChIKeyKWRODPDEHYBYAS-UHFFFAOYSA-N
XLogP-3.24
TPSA147.07 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500201.23
LogP ≤ 5-3.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-triamino-1H-1,3,5-triazin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[(2,4,6-triamino-1H-1,3,5-triazin-4-yl)amino]propan-1-ol (CID 23221592) is 2-[(2,4,6-triamino-1H-1,3,5-triazin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(2,4,6-triamino-1H-1,3,5-triazin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(2,4,6-triamino-1H-1,3,5-triazin-4-yl)amino]propan-1-ol is CC(CO)NC1(N)N=C(N)NC(N)=N1.
What is the InChIKey of 2-[(2,4,6-triamino-1H-1,3,5-triazin-4-yl)amino]propan-1-ol?
The InChIKey is KWRODPDEHYBYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N7O/c1-3(2-14)11-6(9)12-4(7)10-5(8)13-6/h3,11,14H,2,9H2,1H3,(H5,7,8,10,12,13).
What are the key properties of 2-[(2,4,6-triamino-1H-1,3,5-triazin-4-yl)amino]propan-1-ol?
2-[(2,4,6-triamino-1H-1,3,5-triazin-4-yl)amino]propan-1-ol has a molecular weight of 201.23 g/mol, XLogP of -3.24, 3 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-triamino-1H-1,3,5-triazin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 23221592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).