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

C6H11N5O — CID 130532659

IUPAC1-[(4-amino-1,3,5-triazin-2-yl)amino]propan-2-ol
SMILESCC(O)CNc1ncnc(N)n1
InChIInChI=1S/C6H11N5O/c1-4(12)2-8-6-10-3-9-5(7)11-6/h3-4,12H,2H2,1H3,(H3,7,8,9,10,11)
InChIKeyZXTCLYXPZRPNQZ-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.75
Rot. Bonds3

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

1-[(4-amino-1,3,5-triazin-2-yl)amino]propan-2-ol (PubChem CID 130532659) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 1-[(4-amino-1,3,5-triazin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-amino-1,3,5-triazin-2-yl)amino]propan-2-ol
PubChem CID130532659
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name1-[(4-amino-1,3,5-triazin-2-yl)amino]propan-2-ol
SMILESCC(O)CNc1ncnc(N)n1
InChIInChI=1S/C6H11N5O/c1-4(12)2-8-6-10-3-9-5(7)11-6/h3-4,12H,2H2,1H3,(H3,7,8,9,10,11)
InChIKeyZXTCLYXPZRPNQZ-UHFFFAOYSA-N
XLogP-0.75
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

(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-Fluoro-1,3,5-triazin-2-yl)amino]ethanol
CID 54438107
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-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 105649648
3-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 105649659
3-[(4-Amino-6-methoxy-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105649662
3-[[4-(Dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 105649684

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-1,3,5-triazin-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[(4-amino-1,3,5-triazin-2-yl)amino]propan-2-ol (CID 130532659) is 1-[(4-amino-1,3,5-triazin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(4-amino-1,3,5-triazin-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(4-amino-1,3,5-triazin-2-yl)amino]propan-2-ol is CC(O)CNc1ncnc(N)n1.
What is the InChIKey of 1-[(4-amino-1,3,5-triazin-2-yl)amino]propan-2-ol?
The InChIKey is ZXTCLYXPZRPNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-4(12)2-8-6-10-3-9-5(7)11-6/h3-4,12H,2H2,1H3,(H3,7,8,9,10,11).
What are the key properties of 1-[(4-amino-1,3,5-triazin-2-yl)amino]propan-2-ol?
1-[(4-amino-1,3,5-triazin-2-yl)amino]propan-2-ol has a molecular weight of 169.19 g/mol, XLogP of -0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-1,3,5-triazin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 130532659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).