5-ethenyl-1-propan-2-yltetrazole

C6H10N4 — CID 115011332

IUPAC5-ethenyl-1-propan-2-yltetrazole
SMILESC=Cc1nnnn1C(C)C
InChIInChI=1S/C6H10N4/c1-4-6-7-8-9-10(6)5(2)3/h4-5H,1H2,2-3H3
InChIKeyQOVWSIMSQRBBLW-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.90
Rot. Bonds2

About 5-ethenyl-1-propan-2-yltetrazole

5-ethenyl-1-propan-2-yltetrazole (PubChem CID 115011332) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-ethenyl-1-propan-2-yltetrazole.

Molecular Properties

Compound Name5-ethenyl-1-propan-2-yltetrazole
PubChem CID115011332
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name5-ethenyl-1-propan-2-yltetrazole
SMILESC=Cc1nnnn1C(C)C
InChIInChI=1S/C6H10N4/c1-4-6-7-8-9-10(6)5(2)3/h4-5H,1H2,2-3H3
InChIKeyQOVWSIMSQRBBLW-UHFFFAOYSA-N
XLogP0.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-propan-2-yltetrazole?
The IUPAC name of 5-ethenyl-1-propan-2-yltetrazole (CID 115011332) is 5-ethenyl-1-propan-2-yltetrazole.
What is the SMILES notation for 5-ethenyl-1-propan-2-yltetrazole?
The canonical SMILES for 5-ethenyl-1-propan-2-yltetrazole is C=Cc1nnnn1C(C)C.
What is the InChIKey of 5-ethenyl-1-propan-2-yltetrazole?
The InChIKey is QOVWSIMSQRBBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-4-6-7-8-9-10(6)5(2)3/h4-5H,1H2,2-3H3.
What are the key properties of 5-ethenyl-1-propan-2-yltetrazole?
5-ethenyl-1-propan-2-yltetrazole has a molecular weight of 138.17 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-propan-2-yltetrazole is sourced from PubChem (CID 115011332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).