1-methyl-5-penta-1,3-dien-3-yltetrazole

C7H10N4 — CID 123291251

IUPAC1-methyl-5-penta-1,3-dien-3-yltetrazole
SMILESC=CC(=CC)c1nnnn1C
InChIInChI=1S/C7H10N4/c1-4-6(5-2)7-8-9-10-11(7)3/h4-5H,1H2,2-3H3
InChIKeyRAFBFMHZXKOWDL-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.80
Rot. Bonds2

About 1-methyl-5-penta-1,3-dien-3-yltetrazole

1-methyl-5-penta-1,3-dien-3-yltetrazole (PubChem CID 123291251) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-methyl-5-penta-1,3-dien-3-yltetrazole.

Molecular Properties

Compound Name1-methyl-5-penta-1,3-dien-3-yltetrazole
PubChem CID123291251
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name1-methyl-5-penta-1,3-dien-3-yltetrazole
SMILESC=CC(=CC)c1nnnn1C
InChIInChI=1S/C7H10N4/c1-4-6(5-2)7-8-9-10-11(7)3/h4-5H,1H2,2-3H3
InChIKeyRAFBFMHZXKOWDL-UHFFFAOYSA-N
XLogP0.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2E)-6-fluoro-5-(1-fluorohexa-1,2,3,4,5-pentaenyl)undeca-2,4,6,7,8,9,10-heptaen-4-yl]-1-methyltetrazole
CID 21138109
5-[(2E,4E)-6-fluoro-5-(fluoromethyl)undeca-2,4,6,7,8,9,10-heptaen-4-yl]-1-methyltetrazole
CID 59904772
5-[6-Fluoro-5-(1-fluorohexa-1,2,3,4,5-pentaenyl)undeca-2,4,6,7,8,9,10-heptaen-4-yl]-1-methyltetrazole
CID 73754716
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
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
5-[(E)-but-2-enyl]-1-methyltetrazole
CID 56610541
1-methyl-5-[(E)-prop-1-enyl]tetrazole
CID 57250139
1-Methyl-5-prop-1-en-2-yltetrazole
CID 89887489
5-But-2-en-2-yl-1-methyltetrazole
CID 123464347
5-Cyclohepta-2,4,6-trien-1-yl-1-methyltetrazole
CID 135266073

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-penta-1,3-dien-3-yltetrazole?
The IUPAC name of 1-methyl-5-penta-1,3-dien-3-yltetrazole (CID 123291251) is 1-methyl-5-penta-1,3-dien-3-yltetrazole.
What is the SMILES notation for 1-methyl-5-penta-1,3-dien-3-yltetrazole?
The canonical SMILES for 1-methyl-5-penta-1,3-dien-3-yltetrazole is C=CC(=CC)c1nnnn1C.
What is the InChIKey of 1-methyl-5-penta-1,3-dien-3-yltetrazole?
The InChIKey is RAFBFMHZXKOWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-4-6(5-2)7-8-9-10-11(7)3/h4-5H,1H2,2-3H3.
What are the key properties of 1-methyl-5-penta-1,3-dien-3-yltetrazole?
1-methyl-5-penta-1,3-dien-3-yltetrazole has a molecular weight of 150.18 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-penta-1,3-dien-3-yltetrazole is sourced from PubChem (CID 123291251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).