5-[(E)-2,3-dimethylbut-1-enyl]-1-methyltetrazole;ethane

C10H20N4 — CID 177189543

IUPAC5-[(E)-2,3-dimethylbut-1-enyl]-1-methyltetrazole;ethane
SMILESC/C(=C\c1nnnn1C)C(C)C.CC
InChIInChI=1S/C8H14N4.C2H6/c1-6(2)7(3)5-8-9-10-11-12(8)4;1-2/h5-6H,1-4H3;1-2H3/b7-5+;
InChIKeyQOTCPKBTBOGSFL-GZOLSCHFSA-N
MW196.30 g/mol
LogP2.30
Rot. Bonds2

About 5-[(E)-2,3-dimethylbut-1-enyl]-1-methyltetrazole;ethane

5-[(E)-2,3-dimethylbut-1-enyl]-1-methyltetrazole;ethane (PubChem CID 177189543) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 5-[(E)-2,3-dimethylbut-1-enyl]-1-methyltetrazole;ethane.

Molecular Properties

Compound Name5-[(E)-2,3-dimethylbut-1-enyl]-1-methyltetrazole;ethane
PubChem CID177189543
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name5-[(E)-2,3-dimethylbut-1-enyl]-1-methyltetrazole;ethane
SMILESC/C(=C\c1nnnn1C)C(C)C.CC
InChIInChI=1S/C8H14N4.C2H6/c1-6(2)7(3)5-8-9-10-11-12(8)4;1-2/h5-6H,1-4H3;1-2H3/b7-5+;
InChIKeyQOTCPKBTBOGSFL-GZOLSCHFSA-N
XLogP2.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2,3-dimethylbut-1-enyl]-1-methyltetrazole;ethane?
The IUPAC name of 5-[(E)-2,3-dimethylbut-1-enyl]-1-methyltetrazole;ethane (CID 177189543) is 5-[(E)-2,3-dimethylbut-1-enyl]-1-methyltetrazole;ethane.
What is the SMILES notation for 5-[(E)-2,3-dimethylbut-1-enyl]-1-methyltetrazole;ethane?
The canonical SMILES for 5-[(E)-2,3-dimethylbut-1-enyl]-1-methyltetrazole;ethane is C/C(=C\c1nnnn1C)C(C)C.CC.
What is the InChIKey of 5-[(E)-2,3-dimethylbut-1-enyl]-1-methyltetrazole;ethane?
The InChIKey is QOTCPKBTBOGSFL-GZOLSCHFSA-N. The full InChI is InChI=1S/C8H14N4.C2H6/c1-6(2)7(3)5-8-9-10-11-12(8)4;1-2/h5-6H,1-4H3;1-2H3/b7-5+;.
What are the key properties of 5-[(E)-2,3-dimethylbut-1-enyl]-1-methyltetrazole;ethane?
5-[(E)-2,3-dimethylbut-1-enyl]-1-methyltetrazole;ethane has a molecular weight of 196.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2,3-dimethylbut-1-enyl]-1-methyltetrazole;ethane is sourced from PubChem (CID 177189543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).