1-[(E)-but-2-en-2-yl]tetrazole;ethane

C7H14N4 — CID 144852919

IUPAC1-[(E)-but-2-en-2-yl]tetrazole;ethane
SMILESC/C=C(\C)n1cnnn1.CC
InChIInChI=1S/C5H8N4.C2H6/c1-3-5(2)9-4-6-7-8-9;1-2/h3-4H,1-2H3;1-2H3/b5-3+;
InChIKeyQNQBCOLQYJEDPK-WGCWOXMQSA-N
MW154.22 g/mol
LogP1.58
Rot. Bonds1

About 1-[(E)-but-2-en-2-yl]tetrazole;ethane

1-[(E)-but-2-en-2-yl]tetrazole;ethane (PubChem CID 144852919) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]tetrazole;ethane.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]tetrazole;ethane
PubChem CID144852919
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-[(E)-but-2-en-2-yl]tetrazole;ethane
SMILESC/C=C(\C)n1cnnn1.CC
InChIInChI=1S/C5H8N4.C2H6/c1-3-5(2)9-4-6-7-8-9;1-2/h3-4H,1-2H3;1-2H3/b5-3+;
InChIKeyQNQBCOLQYJEDPK-WGCWOXMQSA-N
XLogP1.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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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
CID 142062885
1-[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]tetrazole
CID 143038655
N-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine
CID 143935792
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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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]tetrazole;ethane?
The IUPAC name of 1-[(E)-but-2-en-2-yl]tetrazole;ethane (CID 144852919) is 1-[(E)-but-2-en-2-yl]tetrazole;ethane.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]tetrazole;ethane?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]tetrazole;ethane is C/C=C(\C)n1cnnn1.CC.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]tetrazole;ethane?
The InChIKey is QNQBCOLQYJEDPK-WGCWOXMQSA-N. The full InChI is InChI=1S/C5H8N4.C2H6/c1-3-5(2)9-4-6-7-8-9;1-2/h3-4H,1-2H3;1-2H3/b5-3+;.
What are the key properties of 1-[(E)-but-2-en-2-yl]tetrazole;ethane?
1-[(E)-but-2-en-2-yl]tetrazole;ethane has a molecular weight of 154.22 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]tetrazole;ethane is sourced from PubChem (CID 144852919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).