(1S)-1-(4,6-diamino-1,3,5-triazin-2-yl)ethanol

C5H9N5O — CID 103961005

IUPAC(1S)-1-(4,6-diamino-1,3,5-triazin-2-yl)ethanol
SMILESC[C@H](O)c1nc(N)nc(N)n1
InChIInChI=1S/C5H9N5O/c1-2(11)3-8-4(6)10-5(7)9-3/h2,11H,1H3,(H4,6,7,8,9,10)/t2-/m0/s1
InChIKeyVJETVZKVBMVVRD-REOHCLBHSA-N
MW155.16 g/mol
LogP-0.91
Rot. Bonds1

About (1S)-1-(4,6-diamino-1,3,5-triazin-2-yl)ethanol

(1S)-1-(4,6-diamino-1,3,5-triazin-2-yl)ethanol (PubChem CID 103961005) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is (1S)-1-(4,6-diamino-1,3,5-triazin-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4,6-diamino-1,3,5-triazin-2-yl)ethanol
PubChem CID103961005
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name(1S)-1-(4,6-diamino-1,3,5-triazin-2-yl)ethanol
SMILESC[C@H](O)c1nc(N)nc(N)n1
InChIInChI=1S/C5H9N5O/c1-2(11)3-8-4(6)10-5(7)9-3/h2,11H,1H3,(H4,6,7,8,9,10)/t2-/m0/s1
InChIKeyVJETVZKVBMVVRD-REOHCLBHSA-N
XLogP-0.91
TPSA110.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(4,6-Diamino-1,3,5-triazin-2-yl)methanol
CID 10630590
2-(4,6-Diamino-1,3,5-triazin-2-yl)ethanol
CID 4390640
[4-Amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]methanol
CID 154423237
1-[4,6-Di(propan-2-yl)-1,3,5-triazin-2-yl]ethanol
CID 121221662
1-[4-(1-Hydroxyethyl)-6-propan-2-yl-1,3,5-triazin-2-yl]ethanol
CID 134989836
(4-Amino-6-methoxy-1,3,5-triazin-2-yl)methanol
CID 180026
(3-((4-Amino-6-methyl-1,3,5-triazin-2-yl)amino)-2-hydroxypropyl)bromomercury
CID 11971880
(3-((4-Amino-6-methyl-1,3,5-triazin-2-yl)amino)-2-hydroxypropyl)chloromercury
CID 11971881
6-(1-Methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 20233183
1-[4,6-Bis(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol
CID 20520753
1-(4,6-Dichloro-1,3,5-triazin-2-yl)ethanol
CID 21552518
1-(4,6-Diamino-1,3,5-triazin-2-yl)ethanol
CID 21820781

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4,6-diamino-1,3,5-triazin-2-yl)ethanol?
The IUPAC name of (1S)-1-(4,6-diamino-1,3,5-triazin-2-yl)ethanol (CID 103961005) is (1S)-1-(4,6-diamino-1,3,5-triazin-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(4,6-diamino-1,3,5-triazin-2-yl)ethanol?
The canonical SMILES for (1S)-1-(4,6-diamino-1,3,5-triazin-2-yl)ethanol is C[C@H](O)c1nc(N)nc(N)n1.
What is the InChIKey of (1S)-1-(4,6-diamino-1,3,5-triazin-2-yl)ethanol?
The InChIKey is VJETVZKVBMVVRD-REOHCLBHSA-N. The full InChI is InChI=1S/C5H9N5O/c1-2(11)3-8-4(6)10-5(7)9-3/h2,11H,1H3,(H4,6,7,8,9,10)/t2-/m0/s1.
What are the key properties of (1S)-1-(4,6-diamino-1,3,5-triazin-2-yl)ethanol?
(1S)-1-(4,6-diamino-1,3,5-triazin-2-yl)ethanol has a molecular weight of 155.16 g/mol, XLogP of -0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4,6-diamino-1,3,5-triazin-2-yl)ethanol is sourced from PubChem (CID 103961005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).