2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol

C9H12N4O — CID 15649450

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol
SMILESCc1nc2ncnn2c(C)c1CCO
InChIInChI=1S/C9H12N4O/c1-6-8(3-4-14)7(2)13-9(12-6)10-5-11-13/h5,14H,3-4H2,1-2H3
InChIKeyIOXPKPGSAWVYJJ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.28
Rot. Bonds2

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol (PubChem CID 15649450) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol
PubChem CID15649450
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol
SMILESCc1nc2ncnn2c(C)c1CCO
InChIInChI=1S/C9H12N4O/c1-6-8(3-4-14)7(2)13-9(12-6)10-5-11-13/h5,14H,3-4H2,1-2H3
InChIKeyIOXPKPGSAWVYJJ-UHFFFAOYSA-N
XLogP0.28
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid
CID 4962380
2-[2-Hydroxyethyl-[3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propyl]amino]ethanol
CID 12666101
1-(7-Methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-2-ol
CID 12666106
2-Methyl-2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-ol
CID 12666107
2-(7-Methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanol
CID 12671256
3-(7-Methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-ol
CID 12671257
5,7-Dimethyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 162403043
5,6,7-Trimethyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 21766610
2-[7-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 16792150
8-(7-Amino-5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-octanol
CID 177841179
(7-Amino-5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanol
CID 177841192
2-(3-Bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol
CID 16657219

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol (CID 15649450) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol is Cc1nc2ncnn2c(C)c1CCO.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol?
The InChIKey is IOXPKPGSAWVYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6-8(3-4-14)7(2)13-9(12-6)10-5-11-13/h5,14H,3-4H2,1-2H3.
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol has a molecular weight of 192.22 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol is sourced from PubChem (CID 15649450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).