1-prop-1-enyltetrazole

C4H6N4 — CID 54207715

IUPAC1-prop-1-enyltetrazole
SMILESCC=Cn1cnnn1
InChIInChI=1S/C4H6N4/c1-2-3-8-4-5-6-7-8/h2-4H,1H3
InChIKeyCZXIGLQZJLOVNQ-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.16
Rot. Bonds1

About 1-prop-1-enyltetrazole

1-prop-1-enyltetrazole (PubChem CID 54207715) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is 1-prop-1-enyltetrazole.

Molecular Properties

Compound Name1-prop-1-enyltetrazole
PubChem CID54207715
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC Name1-prop-1-enyltetrazole
SMILESCC=Cn1cnnn1
InChIInChI=1S/C4H6N4/c1-2-3-8-4-5-6-7-8/h2-4H,1H3
InChIKeyCZXIGLQZJLOVNQ-UHFFFAOYSA-N
XLogP0.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enyltetrazole?
The IUPAC name of 1-prop-1-enyltetrazole (CID 54207715) is 1-prop-1-enyltetrazole.
What is the SMILES notation for 1-prop-1-enyltetrazole?
The canonical SMILES for 1-prop-1-enyltetrazole is CC=Cn1cnnn1.
What is the InChIKey of 1-prop-1-enyltetrazole?
The InChIKey is CZXIGLQZJLOVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4/c1-2-3-8-4-5-6-7-8/h2-4H,1H3.
What are the key properties of 1-prop-1-enyltetrazole?
1-prop-1-enyltetrazole has a molecular weight of 110.12 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enyltetrazole is sourced from PubChem (CID 54207715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).