ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole

C12H20N4 — CID 145087204

IUPACethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
SMILESCC.CC(C)c1ccc(-c2nn[nH]n2)cc1.[H][H]
InChIInChI=1S/C10H12N4.C2H6.H2/c1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10;1-2;/h3-7H,1-2H3,(H,11,12,13,14);1-2H3;1H
InChIKeyMCKKAGDHUHZXPH-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.26
Rot. Bonds2

About ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole

ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole (PubChem CID 145087204) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole.

Molecular Properties

Compound Nameethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
PubChem CID145087204
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Nameethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
SMILESCC.CC(C)c1ccc(-c2nn[nH]n2)cc1.[H][H]
InChIInChI=1S/C10H12N4.C2H6.H2/c1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10;1-2;/h3-7H,1-2H3,(H,11,12,13,14);1-2H3;1H
InChIKeyMCKKAGDHUHZXPH-UHFFFAOYSA-N
XLogP3.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175020702
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3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
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5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
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methyl 6-[[(1S)-1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]carbamoyl]pyrimidine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole?
The IUPAC name of ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole (CID 145087204) is ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole.
What is the SMILES notation for ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole?
The canonical SMILES for ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole is CC.CC(C)c1ccc(-c2nn[nH]n2)cc1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole?
The InChIKey is MCKKAGDHUHZXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.C2H6.H2/c1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10;1-2;/h3-7H,1-2H3,(H,11,12,13,14);1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole?
ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole has a molecular weight of 220.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole is sourced from PubChem (CID 145087204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).