1-but-2-en-2-yltetrazole

C5H8N4 — CID 123381709

IUPAC1-but-2-en-2-yltetrazole
SMILESCC=C(C)n1cnnn1
InChIInChI=1S/C5H8N4/c1-3-5(2)9-4-6-7-8-9/h3-4H,1-2H3
InChIKeyQRVBWEYYODFXAA-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.55
Rot. Bonds1

About 1-but-2-en-2-yltetrazole

1-but-2-en-2-yltetrazole (PubChem CID 123381709) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 1-but-2-en-2-yltetrazole.

Molecular Properties

Compound Name1-but-2-en-2-yltetrazole
PubChem CID123381709
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name1-but-2-en-2-yltetrazole
SMILESCC=C(C)n1cnnn1
InChIInChI=1S/C5H8N4/c1-3-5(2)9-4-6-7-8-9/h3-4H,1-2H3
InChIKeyQRVBWEYYODFXAA-UHFFFAOYSA-N
XLogP0.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-But-2-en-2-yl-1,2,4-triazole
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1-Buta-1,3-dien-2-yltetrazole
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4-[(Z)-but-2-en-2-yl]-1,2,4-triazole
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1-[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]tetrazole
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N-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine
CID 143935792
1-[(E)-but-2-en-2-yl]tetrazole;ethane
CID 144852919
1-[(2E,4Z)-5-chlorohexa-2,4-dien-2-yl]tetrazole
CID 156192106
1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]tetrazole
CID 156467378
1-[(E)-hex-3-en-3-yl]tetrazole
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1-[(E)-pent-2-en-2-yl]tetrazole
CID 167109721

Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-yltetrazole?
The IUPAC name of 1-but-2-en-2-yltetrazole (CID 123381709) is 1-but-2-en-2-yltetrazole.
What is the SMILES notation for 1-but-2-en-2-yltetrazole?
The canonical SMILES for 1-but-2-en-2-yltetrazole is CC=C(C)n1cnnn1.
What is the InChIKey of 1-but-2-en-2-yltetrazole?
The InChIKey is QRVBWEYYODFXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-3-5(2)9-4-6-7-8-9/h3-4H,1-2H3.
What are the key properties of 1-but-2-en-2-yltetrazole?
1-but-2-en-2-yltetrazole has a molecular weight of 124.15 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-yltetrazole is sourced from PubChem (CID 123381709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).