2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole

C13H18N4 — CID 126669266

IUPAC2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole
SMILESCC(C)c1ccc(-c2nnn(C(C)C)n2)cc1
InChIInChI=1S/C13H18N4/c1-9(2)11-5-7-12(8-6-11)13-14-16-17(15-13)10(3)4/h5-10H,1-4H3
InChIKeyZERBFKIOGIQDIH-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.04
Rot. Bonds3

About 2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole

2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole (PubChem CID 126669266) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole.

Molecular Properties

Compound Name2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole
PubChem CID126669266
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole
SMILESCC(C)c1ccc(-c2nnn(C(C)C)n2)cc1
InChIInChI=1S/C13H18N4/c1-9(2)11-5-7-12(8-6-11)13-14-16-17(15-13)10(3)4/h5-10H,1-4H3
InChIKeyZERBFKIOGIQDIH-UHFFFAOYSA-N
XLogP3.04
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanenitrile
CID 7588894
[4-(2-propan-2-yltetrazol-5-yl)phenyl]methanol
CID 84786119
(2R)-N-(4-acetamidophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
CID 7588720
(2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
CID 7588870
5-[(1R)-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 38953858
(2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 7489678
N-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75490647
4-(2-propan-2-yltetrazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 75490448
N-(2-methylbutan-2-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8643218
2-[(1S)-1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole
CID 51683474
2-[1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole
CID 42981637
2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole
CID 18286516

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole?
The IUPAC name of 2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole (CID 126669266) is 2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole.
What is the SMILES notation for 2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole?
The canonical SMILES for 2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole is CC(C)c1ccc(-c2nnn(C(C)C)n2)cc1.
What is the InChIKey of 2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole?
The InChIKey is ZERBFKIOGIQDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(2)11-5-7-12(8-6-11)13-14-16-17(15-13)10(3)4/h5-10H,1-4H3.
What are the key properties of 2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole?
2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole has a molecular weight of 230.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole is sourced from PubChem (CID 126669266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).