7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid

C11H7Cl2N5O2 — CID 135756433

IUPAC7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)C1=CC(c2ccc(Cl)cc2Cl)n2nnnc2N1
InChIInChI=1S/C11H7Cl2N5O2/c12-5-1-2-6(7(13)3-5)9-4-8(10(19)20)14-11-15-16-17-18(9)11/h1-4,9H,(H,19,20)(H,14,15,17)
InChIKeyHEPCWHJYWJAIFW-UHFFFAOYSA-N
MW312.12 g/mol
LogP1.96
Rot. Bonds2

About 7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 135756433) has the molecular formula C11H7Cl2N5O2 and a molecular weight of 312.12 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID135756433
Molecular FormulaC11H7Cl2N5O2
Molecular Weight312.12 g/mol
Exact Mass311.00
IUPAC Name7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)C1=CC(c2ccc(Cl)cc2Cl)n2nnnc2N1
InChIInChI=1S/C11H7Cl2N5O2/c12-5-1-2-6(7(13)3-5)9-4-8(10(19)20)14-11-15-16-17-18(9)11/h1-4,9H,(H,19,20)(H,14,15,17)
InChIKeyHEPCWHJYWJAIFW-UHFFFAOYSA-N
XLogP1.96
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(7S)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135763726
7-(2,4-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3526004
5-(4-bromophenyl)-7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3739128
(7R)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135763736
(7S)-7-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135763718
(7R)-7-(2,5-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135556988
(7S)-7-(4-bromophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135763714
(7S)-7-(2,4-dichlorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 696413
7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135476932
7-(2,4-dichlorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3796566
propan-2-yl 7-(2-chlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
CID 153361018
(7S)-7-(3-propan-2-yloxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136668382

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 135756433) is 7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid is O=C(O)C1=CC(c2ccc(Cl)cc2Cl)n2nnnc2N1.
What is the InChIKey of 7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is HEPCWHJYWJAIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N5O2/c12-5-1-2-6(7(13)3-5)9-4-8(10(19)20)14-11-15-16-17-18(9)11/h1-4,9H,(H,19,20)(H,14,15,17).
What are the key properties of 7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 312.12 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 135756433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).