1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-methylsulfanylpropan-2-ol

C13H18N4OS — CID 119036682

IUPAC1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-methylsulfanylpropan-2-ol
SMILESCSCC(O)Cn1nnc(Cc2ccccc2C)n1
InChIInChI=1S/C13H18N4OS/c1-10-5-3-4-6-11(10)7-13-14-16-17(15-13)8-12(18)9-19-2/h3-6,12,18H,7-9H2,1-2H3
InChIKeyVBMQUIUSUAXOPG-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.30
Rot. Bonds6

About 1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-methylsulfanylpropan-2-ol

1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-methylsulfanylpropan-2-ol (PubChem CID 119036682) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-methylsulfanylpropan-2-ol
PubChem CID119036682
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-methylsulfanylpropan-2-ol
SMILESCSCC(O)Cn1nnc(Cc2ccccc2C)n1
InChIInChI=1S/C13H18N4OS/c1-10-5-3-4-6-11(10)7-13-14-16-17(15-13)8-12(18)9-19-2/h3-6,12,18H,7-9H2,1-2H3
InChIKeyVBMQUIUSUAXOPG-UHFFFAOYSA-N
XLogP1.30
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol
CID 126778219
5-[(2-methylphenyl)methyl]-2-prop-2-enyltetrazole
CID 71912837
2-(2-ethoxyethyl)-5-[(2-methylphenyl)methyl]tetrazole
CID 75453553
2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-1-piperidin-1-ylethanone
CID 146129081
3-[[5-[(2-methylphenyl)methyl]tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 154840775
(5-benzyltetrazol-2-yl)methanol
CID 13081003
5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
CID 62596855
1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol
CID 62770681
(1R)-1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol
CID 103431391
4-methyl-2-[(2-methylphenyl)methyl]pyrimidine
CID 21028246
2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117137351
1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349292

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-methylsulfanylpropan-2-ol (CID 119036682) is 1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-methylsulfanylpropan-2-ol is CSCC(O)Cn1nnc(Cc2ccccc2C)n1.
What is the InChIKey of 1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-methylsulfanylpropan-2-ol?
The InChIKey is VBMQUIUSUAXOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10-5-3-4-6-11(10)7-13-14-16-17(15-13)8-12(18)9-19-2/h3-6,12,18H,7-9H2,1-2H3.
What are the key properties of 1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-methylsulfanylpropan-2-ol?
1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-methylsulfanylpropan-2-ol has a molecular weight of 278.38 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 119036682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).