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

C9H17N5O2 — CID 173305206

IUPAC1-[[4-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1ncnc(NCC(C)O)n1
InChIInChI=1S/C9H17N5O2/c1-6(15)3-10-8-12-5-13-9(14-8)11-4-7(2)16/h5-7,15-16H,3-4H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyUYKYAULKSFJJTO-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.54
Rot. Bonds6

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

1-[[4-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol (PubChem CID 173305206) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-[[4-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
PubChem CID173305206
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name1-[[4-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1ncnc(NCC(C)O)n1
InChIInChI=1S/C9H17N5O2/c1-6(15)3-10-8-12-5-13-9(14-8)11-4-7(2)16/h5-7,15-16H,3-4H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyUYKYAULKSFJJTO-UHFFFAOYSA-N
XLogP-0.54
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Related Compounds

2,2',2''-(1,3,5-Triazine-2,4,6-triyltriimino)trisethanol
CID 78114
2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-YL]amino}ethanol
CID 3138159
(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
1-Fluoro-2-[[4-[(2-fluoro-2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 57190775
1-[(4-Fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 173314858
Chloro(3-((4-amino-1,3,5-triazin-2-yl)amino)-2-hydroxypropyl)mercury
CID 11971883
3-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103702778
3-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)amino]-1,1-difluoropropan-2-ol
CID 105647820
1,1,1-Trifluoro-3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 105649573

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[4-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol (CID 173305206) is 1-[[4-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[4-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[4-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol is CC(O)CNc1ncnc(NCC(C)O)n1.
What is the InChIKey of 1-[[4-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol?
The InChIKey is UYKYAULKSFJJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-6(15)3-10-8-12-5-13-9(14-8)11-4-7(2)16/h5-7,15-16H,3-4H2,1-2H3,(H2,10,11,12,13,14).
What are the key properties of 1-[[4-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol?
1-[[4-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol has a molecular weight of 227.27 g/mol, XLogP of -0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 173305206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).