7-methyl-5-(oxolan-2-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one

C10H12N4O2 — CID 136984160

IUPAC7-methyl-5-(oxolan-2-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCc1nc(C2CCCO2)c2c(=O)[nH]cnn12
InChIInChI=1S/C10H12N4O2/c1-6-13-8(7-3-2-4-16-7)9-10(15)11-5-12-14(6)9/h5,7H,2-4H2,1H3,(H,11,12,15)
InChIKeySNEMCLIUQOMGFW-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.58
Rot. Bonds1

About 7-methyl-5-(oxolan-2-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one

7-methyl-5-(oxolan-2-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 136984160) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 7-methyl-5-(oxolan-2-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-methyl-5-(oxolan-2-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID136984160
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name7-methyl-5-(oxolan-2-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCc1nc(C2CCCO2)c2c(=O)[nH]cnn12
InChIInChI=1S/C10H12N4O2/c1-6-13-8(7-3-2-4-16-7)9-10(15)11-5-12-14(6)9/h5,7H,2-4H2,1H3,(H,11,12,15)
InChIKeySNEMCLIUQOMGFW-UHFFFAOYSA-N
XLogP0.58
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-7-methyl-5-[(2R)-oxolan-2-yl]imidazo[5,1-f][1,2,4]triazine
CID 118570004
7-cyclopentyl-5-iodo-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 163207715
5-(oxan-2-yl)-1H-pyrimidin-6-one
CID 3073823
6-methyl-2-(oxolan-2-yl)pyridin-3-ol
CID 68852704
5-chloro-3-(oxolan-2-yl)-1H-pyridazin-6-one
CID 117105684
2,3,5-trimethyl-6-(oxolan-2-yl)cyclohexa-2,5-diene-1,4-dione
CID 67857463
2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid
CID 115036116
8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione
CID 112568856
6-bromo-1-methyl-3-(oxolan-2-yl)quinoxalin-2-one
CID 156695639
7-(4-fluorophenyl)-8-methyl-1H-purin-6-one
CID 137254746
4-(oxolan-2-yl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 115028003
5-fluoro-6-(oxolan-2-yl)-1H-pyrimidine-2,4-dione
CID 69085682

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(oxolan-2-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-methyl-5-(oxolan-2-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 136984160) is 7-methyl-5-(oxolan-2-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-methyl-5-(oxolan-2-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-methyl-5-(oxolan-2-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one is Cc1nc(C2CCCO2)c2c(=O)[nH]cnn12.
What is the InChIKey of 7-methyl-5-(oxolan-2-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is SNEMCLIUQOMGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-13-8(7-3-2-4-16-7)9-10(15)11-5-12-14(6)9/h5,7H,2-4H2,1H3,(H,11,12,15).
What are the key properties of 7-methyl-5-(oxolan-2-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
7-methyl-5-(oxolan-2-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 220.23 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(oxolan-2-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 136984160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).