1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole

C17H16N4S — CID 9450968

IUPAC1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole
SMILESc1ccc(-c2ccc(CSc3nnnn3C3CC3)cc2)cc1
InChIInChI=1S/C17H16N4S/c1-2-4-14(5-3-1)15-8-6-13(7-9-15)12-22-17-18-19-20-21(17)16-10-11-16/h1-9,16H,10-12H2
InChIKeyWYDPBUWLAHINAB-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.97
Rot. Bonds5

About 1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole

1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole (PubChem CID 9450968) has the molecular formula C17H16N4S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole
PubChem CID9450968
Molecular FormulaC17H16N4S
Molecular Weight308.41 g/mol
Exact Mass308.11
IUPAC Name1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole
SMILESc1ccc(-c2ccc(CSc3nnnn3C3CC3)cc2)cc1
InChIInChI=1S/C17H16N4S/c1-2-4-14(5-3-1)15-8-6-13(7-9-15)12-22-17-18-19-20-21(17)16-10-11-16/h1-9,16H,10-12H2
InChIKeyWYDPBUWLAHINAB-UHFFFAOYSA-N
XLogP3.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine
CID 43530530
1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole
CID 47124307
2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]phenyl]propanoic acid
CID 105345079
1-cyclopropyl-5-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]tetrazole
CID 39536267
methyl 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoate
CID 26388915
3-[3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]phenyl]prop-2-enoic acid
CID 76908959
1-[4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione
CID 1329086
2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine
CID 27935969
5-(3-bromo-2-phenylpropyl)sulfanyl-1-cyclopropyltetrazole
CID 65016228
[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62464170
3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 62468379
5-[2-(benzenesulfonyl)ethylsulfanyl]-1-cyclopropyltetrazole
CID 26389020

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole?
The IUPAC name of 1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole (CID 9450968) is 1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole.
What is the SMILES notation for 1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole?
The canonical SMILES for 1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole is c1ccc(-c2ccc(CSc3nnnn3C3CC3)cc2)cc1.
What is the InChIKey of 1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole?
The InChIKey is WYDPBUWLAHINAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4S/c1-2-4-14(5-3-1)15-8-6-13(7-9-15)12-22-17-18-19-20-21(17)16-10-11-16/h1-9,16H,10-12H2.
What are the key properties of 1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole?
1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole has a molecular weight of 308.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole is sourced from PubChem (CID 9450968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).