5-[(E)-but-2-enyl]-1-methyltetrazole

C6H10N4 — CID 56610541

IUPAC5-[(E)-but-2-enyl]-1-methyltetrazole
SMILESC/C=C/Cc1nnnn1C
InChIInChI=1S/C6H10N4/c1-3-4-5-6-7-8-9-10(6)2/h3-4H,5H2,1-2H3/b4-3+
InChIKeyQQHSUKBDGIXUKN-ONEGZZNKSA-N
MW138.17 g/mol
LogP0.33
Rot. Bonds2

About 5-[(E)-but-2-enyl]-1-methyltetrazole

5-[(E)-but-2-enyl]-1-methyltetrazole (PubChem CID 56610541) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-[(E)-but-2-enyl]-1-methyltetrazole.

Molecular Properties

Compound Name5-[(E)-but-2-enyl]-1-methyltetrazole
PubChem CID56610541
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name5-[(E)-but-2-enyl]-1-methyltetrazole
SMILESC/C=C/Cc1nnnn1C
InChIInChI=1S/C6H10N4/c1-3-4-5-6-7-8-9-10(6)2/h3-4H,5H2,1-2H3/b4-3+
InChIKeyQQHSUKBDGIXUKN-ONEGZZNKSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltetrazole
CID 174192481
5-allyl-1,4-dimethyl-1H-tetrazol-4-ium
CID 639034
1H-tetrazolium, 5-[(2E)-4,4-dimethyl-2-pentenyl]-1,4-dimethyl-
CID 639035
1H-tetrazolium, 5-[(2E)-2-butenyl]-1,4-dimethyl-
CID 639037
5-Cyclohexa-1,5-dien-1-yl-1-methyltetrazole
CID 22351201
1-Methyl-5-(prop-2-en-1-yl)-1h-1,2,3,4-tetrazole
CID 53975158
1-(1-Methyltetrazol-5-yl)prop-2-ene-1-thiol
CID 57002566
1-methyl-5-[(E)-prop-1-enyl]tetrazole
CID 57250139
1,5-Bis(prop-2-enyl)tetrazole
CID 66993003
(3Z,5Z)-N-methyl-1-(1-methyltetrazol-5-yl)hepta-3,5-dien-2-imine
CID 90196575
5,8-Dihydrotetrazolo[1,5-a]pyridine
CID 91400686
1-Methyl-5-penta-1,3-dien-3-yltetrazole
CID 123291251

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-2-enyl]-1-methyltetrazole?
The IUPAC name of 5-[(E)-but-2-enyl]-1-methyltetrazole (CID 56610541) is 5-[(E)-but-2-enyl]-1-methyltetrazole.
What is the SMILES notation for 5-[(E)-but-2-enyl]-1-methyltetrazole?
The canonical SMILES for 5-[(E)-but-2-enyl]-1-methyltetrazole is C/C=C/Cc1nnnn1C.
What is the InChIKey of 5-[(E)-but-2-enyl]-1-methyltetrazole?
The InChIKey is QQHSUKBDGIXUKN-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H10N4/c1-3-4-5-6-7-8-9-10(6)2/h3-4H,5H2,1-2H3/b4-3+.
What are the key properties of 5-[(E)-but-2-enyl]-1-methyltetrazole?
5-[(E)-but-2-enyl]-1-methyltetrazole has a molecular weight of 138.17 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-2-enyl]-1-methyltetrazole is sourced from PubChem (CID 56610541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).