[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]triazol-4-yl]methanol

C9H14N8O — CID 62399781

IUPAC[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]triazol-4-yl]methanol
SMILESCN(C)c1nc(N)nc(Cn2cc(CO)nn2)n1
InChIInChI=1S/C9H14N8O/c1-16(2)9-12-7(11-8(10)13-9)4-17-3-6(5-18)14-15-17/h3,18H,4-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyHYDGFWXDFXZCPK-UHFFFAOYSA-N
MW250.27 g/mol
LogP-1.35
Rot. Bonds4

About [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]triazol-4-yl]methanol

[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]triazol-4-yl]methanol (PubChem CID 62399781) has the molecular formula C9H14N8O and a molecular weight of 250.27 g/mol. Its IUPAC name is [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]triazol-4-yl]methanol
PubChem CID62399781
Molecular FormulaC9H14N8O
Molecular Weight250.27 g/mol
Exact Mass250.13
IUPAC Name[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]triazol-4-yl]methanol
SMILESCN(C)c1nc(N)nc(Cn2cc(CO)nn2)n1
InChIInChI=1S/C9H14N8O/c1-16(2)9-12-7(11-8(10)13-9)4-17-3-6(5-18)14-15-17/h3,18H,4-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyHYDGFWXDFXZCPK-UHFFFAOYSA-N
XLogP-1.35
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]triazol-4-yl]methanol (CID 62399781) is [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]triazol-4-yl]methanol is CN(C)c1nc(N)nc(Cn2cc(CO)nn2)n1.
What is the InChIKey of [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]triazol-4-yl]methanol?
The InChIKey is HYDGFWXDFXZCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N8O/c1-16(2)9-12-7(11-8(10)13-9)4-17-3-6(5-18)14-15-17/h3,18H,4-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]triazol-4-yl]methanol?
[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]triazol-4-yl]methanol has a molecular weight of 250.27 g/mol, XLogP of -1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 62399781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).