4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1H-pyrimidin-6-one

C11H7ClN6O — CID 136969577

IUPAC4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cc(Cl)ccc2-n2cnnn2)nc[nH]1
InChIInChI=1S/C11H7ClN6O/c12-7-1-2-10(18-6-15-16-17-18)8(3-7)9-4-11(19)14-5-13-9/h1-6H,(H,13,14,19)
InChIKeyZVBVFCBZFMCVOB-UHFFFAOYSA-N
MW274.67 g/mol
LogP1.07
Rot. Bonds2

About 4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1H-pyrimidin-6-one

4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1H-pyrimidin-6-one (PubChem CID 136969577) has the molecular formula C11H7ClN6O and a molecular weight of 274.67 g/mol. Its IUPAC name is 4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1H-pyrimidin-6-one
PubChem CID136969577
Molecular FormulaC11H7ClN6O
Molecular Weight274.67 g/mol
Exact Mass274.04
IUPAC Name4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cc(Cl)ccc2-n2cnnn2)nc[nH]1
InChIInChI=1S/C11H7ClN6O/c12-7-1-2-10(18-6-15-16-17-18)8(3-7)9-4-11(19)14-5-13-9/h1-6H,(H,13,14,19)
InChIKeyZVBVFCBZFMCVOB-UHFFFAOYSA-N
XLogP1.07
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.67
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-chloro-2-(triazol-1-yl)phenyl]-1H-pyrimidin-6-one
CID 136947813
4-(5-chloro-2-fluorophenyl)-1H-pyrimidin-6-one
CID 136969559
ethyl 1-[4-chloro-2-(6-oxo-1H-pyrimidin-4-yl)phenyl]triazole-4-carboxylate
CID 137135843
4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane
CID 159568727
(6S)-2-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 118106508
1-[(3-bromo-4-fluorophenyl)methyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one
CID 168875768
1-(5-chloro-2-methylphenyl)tetrazole
CID 11586443
3-(2-chloroacetyl)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-indolizin-5-one
CID 118106297
2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride
CID 135205382
4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid
CID 135205876
(1aS,2S,7bR)-2-(2-chloroacetyl)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 164842689
methyl N-[4-[2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-6-oxo-2-propan-2-ylpyrimidin-1-yl]methyl]-1H-imidazol-5-yl]phenyl]carbamate
CID 140675159

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1H-pyrimidin-6-one (CID 136969577) is 4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1H-pyrimidin-6-one is O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)nc[nH]1.
What is the InChIKey of 4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is ZVBVFCBZFMCVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN6O/c12-7-1-2-10(18-6-15-16-17-18)8(3-7)9-4-11(19)14-5-13-9/h1-6H,(H,13,14,19).
What are the key properties of 4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1H-pyrimidin-6-one?
4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1H-pyrimidin-6-one has a molecular weight of 274.67 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136969577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).