(7R)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

C14H12N4O4 — CID 136915752

IUPAC(7R)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)C1=C[C@H](c2ccc3c(c2)OCCO3)n2ncnc2N1
InChIInChI=1S/C14H12N4O4/c19-13(20)9-6-10(18-14(17-9)15-7-16-18)8-1-2-11-12(5-8)22-4-3-21-11/h1-2,5-7,10H,3-4H2,(H,19,20)(H,15,16,17)/t10-/m1/s1
InChIKeyHXNPXFJUJXRDPC-SNVBAGLBSA-N
MW300.27 g/mol
LogP1.03
Rot. Bonds2

About (7R)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

(7R)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 136915752) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is (7R)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name(7R)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID136915752
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC Name(7R)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)C1=C[C@H](c2ccc3c(c2)OCCO3)n2ncnc2N1
InChIInChI=1S/C14H12N4O4/c19-13(20)9-6-10(18-14(17-9)15-7-16-18)8-1-2-11-12(5-8)22-4-3-21-11/h1-2,5-7,10H,3-4H2,(H,19,20)(H,15,16,17)/t10-/m1/s1
InChIKeyHXNPXFJUJXRDPC-SNVBAGLBSA-N
XLogP1.03
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (7R)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7R)-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136675995
(7S)-7-(4-hydroxy-3-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136813893
(7S)-7-(4-propan-2-ylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136899092
(7R)-7-(3-ethoxy-4-hydroxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136882532
(7S)-7-(2,4-difluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136899097
(7R)-5-(1,3-benzodioxol-5-yl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136689142
5-(1,3-benzodioxol-5-yl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3564754
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 2980428
ethyl (7R)-7-(1,3-benzodioxol-5-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 725503
(5R,7R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136727815
(5S,7S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136727816
(7S)-7-(3,4-dihydroxyphenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136676014

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of (7R)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 136915752) is (7R)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for (7R)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for (7R)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is O=C(O)C1=C[C@H](c2ccc3c(c2)OCCO3)n2ncnc2N1.
What is the InChIKey of (7R)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is HXNPXFJUJXRDPC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H12N4O4/c19-13(20)9-6-10(18-14(17-9)15-7-16-18)8-1-2-11-12(5-8)22-4-3-21-11/h1-2,5-7,10H,3-4H2,(H,19,20)(H,15,16,17)/t10-/m1/s1.
What are the key properties of (7R)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
(7R)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 300.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 136915752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).