2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]ethanol

C10H14N6O — CID 71661253

IUPAC2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]ethanol
SMILESCc1ncc(Cn2cc(CCO)nn2)c(N)n1
InChIInChI=1S/C10H14N6O/c1-7-12-4-8(10(11)13-7)5-16-6-9(2-3-17)14-15-16/h4,6,17H,2-3,5H2,1H3,(H2,11,12,13)
InChIKeyNOERNUYYYHTDDC-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.46
Rot. Bonds4

About 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]ethanol

2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]ethanol (PubChem CID 71661253) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]ethanol
PubChem CID71661253
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]ethanol
SMILESCc1ncc(Cn2cc(CCO)nn2)c(N)n1
InChIInChI=1S/C10H14N6O/c1-7-12-4-8(10(11)13-7)5-16-6-9(2-3-17)14-15-16/h4,6,17H,2-3,5H2,1H3,(H2,11,12,13)
InChIKeyNOERNUYYYHTDDC-UHFFFAOYSA-N
XLogP-0.46
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]ethanol (CID 71661253) is 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]ethanol is Cc1ncc(Cn2cc(CCO)nn2)c(N)n1.
What is the InChIKey of 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is NOERNUYYYHTDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-7-12-4-8(10(11)13-7)5-16-6-9(2-3-17)14-15-16/h4,6,17H,2-3,5H2,1H3,(H2,11,12,13).
What are the key properties of 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]ethanol?
2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]ethanol has a molecular weight of 234.26 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 71661253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).