1-methyl-5-[(E)-prop-1-enyl]tetrazole

C5H8N4 — CID 57250139

IUPAC1-methyl-5-[(E)-prop-1-enyl]tetrazole
SMILESC/C=C/c1nnnn1C
InChIInChI=1S/C5H8N4/c1-3-4-5-6-7-8-9(5)2/h3-4H,1-2H3/b4-3+
InChIKeyLNBCXLFZJYOPDI-ONEGZZNKSA-N
MW124.15 g/mol
LogP0.24
Rot. Bonds1

About 1-methyl-5-[(E)-prop-1-enyl]tetrazole

1-methyl-5-[(E)-prop-1-enyl]tetrazole (PubChem CID 57250139) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 1-methyl-5-[(E)-prop-1-enyl]tetrazole.

Molecular Properties

Compound Name1-methyl-5-[(E)-prop-1-enyl]tetrazole
PubChem CID57250139
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name1-methyl-5-[(E)-prop-1-enyl]tetrazole
SMILESC/C=C/c1nnnn1C
InChIInChI=1S/C5H8N4/c1-3-4-5-6-7-8-9(5)2/h3-4H,1-2H3/b4-3+
InChIKeyLNBCXLFZJYOPDI-ONEGZZNKSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Tetrazole, 5-ethenyl-1-methyl-
CID 430825
1,5-Divinyl-1h-tetrazole
CID 13637551
(E)-N,N-dimethyl-2-(1-methyltetrazol-5-yl)ethenamine
CID 134894724
5-allyl-1,4-dimethyl-1H-tetrazol-4-ium
CID 639034
1H-tetrazolium, 5-[(2E)-2-butenyl]-1,4-dimethyl-
CID 639037
5-Methyl-1-prop-2-enyltetrazole
CID 18726585
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
5-[(E)-prop-1-enyl]-1-prop-2-enyltetrazole
CID 56995823
5-methyl-1-[(Z)-prop-1-enyl]tetrazole
CID 57931087
5-Ethenyl-1-prop-2-enyltetrazole
CID 67833584
1-Methyl-5-prop-1-en-2-yltetrazole
CID 89887489

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(E)-prop-1-enyl]tetrazole?
The IUPAC name of 1-methyl-5-[(E)-prop-1-enyl]tetrazole (CID 57250139) is 1-methyl-5-[(E)-prop-1-enyl]tetrazole.
What is the SMILES notation for 1-methyl-5-[(E)-prop-1-enyl]tetrazole?
The canonical SMILES for 1-methyl-5-[(E)-prop-1-enyl]tetrazole is C/C=C/c1nnnn1C.
What is the InChIKey of 1-methyl-5-[(E)-prop-1-enyl]tetrazole?
The InChIKey is LNBCXLFZJYOPDI-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H8N4/c1-3-4-5-6-7-8-9(5)2/h3-4H,1-2H3/b4-3+.
What are the key properties of 1-methyl-5-[(E)-prop-1-enyl]tetrazole?
1-methyl-5-[(E)-prop-1-enyl]tetrazole has a molecular weight of 124.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(E)-prop-1-enyl]tetrazole is sourced from PubChem (CID 57250139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).