6-(2-hydroxyethyl)-2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C9H12N4O2 — CID 136773953

IUPAC6-(2-hydroxyethyl)-2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)c(CCO)c(C)n2n1
InChIInChI=1S/C9H12N4O2/c1-5-7(3-4-14)8(15)11-9-10-6(2)12-13(5)9/h14H,3-4H2,1-2H3,(H,10,11,12,15)
InChIKeyLRZXZDYMVPPFGP-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.43
Rot. Bonds2

About 6-(2-hydroxyethyl)-2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

6-(2-hydroxyethyl)-2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 136773953) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID136773953
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name6-(2-hydroxyethyl)-2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)c(CCO)c(C)n2n1
InChIInChI=1S/C9H12N4O2/c1-5-7(3-4-14)8(15)11-9-10-6(2)12-13(5)9/h14H,3-4H2,1-2H3,(H,10,11,12,15)
InChIKeyLRZXZDYMVPPFGP-UHFFFAOYSA-N
XLogP-0.43
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-Diamino-12-(2-hydroxyethyl)-11-methyl-1,3,4,6,8,10-hexazatricyclo[7.4.0.02,6]trideca-2,4,7,9,11-pentaen-13-one
CID 82626341
3,8-Diamino-11-(2-hydroxyethyl)-12-methyl-2,4,5,7,9,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,11-pentaen-10-one
CID 82626342
6-(2-hydroxyethyl)-7-methyl-4H,5H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 136773889
7-Ethyl-2,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773952
2,7-Dimethyl-6-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773958
6-Ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773975
6-(2-hydroxyethyl)-2-methoxy-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 136773982
2-ethoxy-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 136980062
2-ethyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137004078
2,7-Diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 137004082
2,6-Diethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 137004083
2-ethyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137004101

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 6-(2-hydroxyethyl)-2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 136773953) is 6-(2-hydroxyethyl)-2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 6-(2-hydroxyethyl)-2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 6-(2-hydroxyethyl)-2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is Cc1nc2[nH]c(=O)c(CCO)c(C)n2n1.
What is the InChIKey of 6-(2-hydroxyethyl)-2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is LRZXZDYMVPPFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-5-7(3-4-14)8(15)11-9-10-6(2)12-13(5)9/h14H,3-4H2,1-2H3,(H,10,11,12,15).
What are the key properties of 6-(2-hydroxyethyl)-2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
6-(2-hydroxyethyl)-2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 208.22 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136773953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).