1-prop-1-en-2-yltetrazole

C4H6N4 — CID 100977926

IUPAC1-prop-1-en-2-yltetrazole
SMILESC=C(C)n1cnnn1
InChIInChI=1S/C4H6N4/c1-4(2)8-3-5-6-7-8/h3H,1H2,2H3
InChIKeyATXMSJGGHJTDDP-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.16
Rot. Bonds1

About 1-prop-1-en-2-yltetrazole

1-prop-1-en-2-yltetrazole (PubChem CID 100977926) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is 1-prop-1-en-2-yltetrazole.

Molecular Properties

Compound Name1-prop-1-en-2-yltetrazole
PubChem CID100977926
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC Name1-prop-1-en-2-yltetrazole
SMILESC=C(C)n1cnnn1
InChIInChI=1S/C4H6N4/c1-4(2)8-3-5-6-7-8/h3H,1H2,2H3
InChIKeyATXMSJGGHJTDDP-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-en-2-yltetrazole?
The IUPAC name of 1-prop-1-en-2-yltetrazole (CID 100977926) is 1-prop-1-en-2-yltetrazole.
What is the SMILES notation for 1-prop-1-en-2-yltetrazole?
The canonical SMILES for 1-prop-1-en-2-yltetrazole is C=C(C)n1cnnn1.
What is the InChIKey of 1-prop-1-en-2-yltetrazole?
The InChIKey is ATXMSJGGHJTDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4/c1-4(2)8-3-5-6-7-8/h3H,1H2,2H3.
What are the key properties of 1-prop-1-en-2-yltetrazole?
1-prop-1-en-2-yltetrazole 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-en-2-yltetrazole is sourced from PubChem (CID 100977926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).