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

C6H13N7O — CID 90384799

IUPAC1-amino-3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propan-2-ol
SMILESNCC(O)CNc1nc(N)nc(N)n1
InChIInChI=1S/C6H13N7O/c7-1-3(14)2-10-6-12-4(8)11-5(9)13-6/h3,14H,1-2,7H2,(H5,8,9,10,11,12,13)
InChIKeyYGZRHBJNPIIVJK-UHFFFAOYSA-N
MW199.22 g/mol
LogP-2.23
Rot. Bonds4

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

1-amino-3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propan-2-ol (PubChem CID 90384799) has the molecular formula C6H13N7O and a molecular weight of 199.22 g/mol. Its IUPAC name is 1-amino-3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propan-2-ol
PubChem CID90384799
Molecular FormulaC6H13N7O
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name1-amino-3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propan-2-ol
SMILESNCC(O)CNc1nc(N)nc(N)n1
InChIInChI=1S/C6H13N7O/c7-1-3(14)2-10-6-12-4(8)11-5(9)13-6/h3,14H,1-2,7H2,(H5,8,9,10,11,12,13)
InChIKeyYGZRHBJNPIIVJK-UHFFFAOYSA-N
XLogP-2.23
TPSA148.99 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 5-2.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 1-amino-3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propan-2-ol with MolForge

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Related Compounds

2-Propanol, 1-amino-, reaction products with melamine
CID 121232523
2,2',2''-(1,3,5-Triazine-2,4,6-triyltriimino)trisethanol
CID 78114
3-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 18363804
2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-YL]amino}ethanol
CID 3138159
2,2'-((6-Chloro-1,3,5-triazine-2,4-diyl)diimino)bisethanol
CID 459153
1,3,5-Triazine, 2-amino-4,6-bis(2-hydroxy)ethylamino-
CID 11171897
2-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]ethanol
CID 97106
(2'-Hydroxyethyl)amino-1,3,5-triazine
CID 19956672
2-Propanol, 1,1',1''-(1,3,5-triazine-2,4,6-triyltriimino)tris-
CID 13628675
2-Propanol, 1,1'-((6-amino-1,3,5-triazine-2,4-diyl)diimino)bis-
CID 17883062
2-Propanol, 1-((4,6-diamino-1,3,5-triazin-2-yl)amino)-
CID 20230609
2-[(4,6-Difluoro-1,3,5-triazin-2-yl)amino]ethanol
CID 54479155

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propan-2-ol?
The IUPAC name of 1-amino-3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propan-2-ol (CID 90384799) is 1-amino-3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-amino-3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propan-2-ol is NCC(O)CNc1nc(N)nc(N)n1.
What is the InChIKey of 1-amino-3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propan-2-ol?
The InChIKey is YGZRHBJNPIIVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N7O/c7-1-3(14)2-10-6-12-4(8)11-5(9)13-6/h3,14H,1-2,7H2,(H5,8,9,10,11,12,13).
What are the key properties of 1-amino-3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propan-2-ol?
1-amino-3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propan-2-ol has a molecular weight of 199.22 g/mol, XLogP of -2.23, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 90384799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).