(Z)-but-2-ene;1-methyltetrazole

C6H12N4 — CID 144527870

IUPAC(Z)-but-2-ene;1-methyltetrazole
SMILESC/C=C\C.Cn1cnnn1
InChIInChI=1S/C4H8.C2H4N4/c1-3-4-2;1-6-2-3-4-5-6/h3-4H,1-2H3;2H,1H3/b4-3-;
InChIKeyQDXYPCLFBVDEMW-LNKPDPKZSA-N
MW140.19 g/mol
LogP0.79
Rot. Bonds

About (Z)-but-2-ene;1-methyltetrazole

(Z)-but-2-ene;1-methyltetrazole (PubChem CID 144527870) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is (Z)-but-2-ene;1-methyltetrazole.

Molecular Properties

Compound Name(Z)-but-2-ene;1-methyltetrazole
PubChem CID144527870
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name(Z)-but-2-ene;1-methyltetrazole
SMILESC/C=C\C.Cn1cnnn1
InChIInChI=1S/C4H8.C2H4N4/c1-3-4-2;1-6-2-3-4-5-6/h3-4H,1-2H3;2H,1H3/b4-3-;
InChIKeyQDXYPCLFBVDEMW-LNKPDPKZSA-N
XLogP0.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.79
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

1-[(E)-but-1-enyl]tetrazole
CID 20274597
1-Prop-1-enyltetrazole
CID 54207715
1-But-1-enyltetrazole
CID 54440525
1-[(E)-but-2-enyl]tetrazole
CID 57229389
1-[(Z)-prop-1-enyl]tetrazole
CID 173410025

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;1-methyltetrazole?
The IUPAC name of (Z)-but-2-ene;1-methyltetrazole (CID 144527870) is (Z)-but-2-ene;1-methyltetrazole.
What is the SMILES notation for (Z)-but-2-ene;1-methyltetrazole?
The canonical SMILES for (Z)-but-2-ene;1-methyltetrazole is C/C=C\C.Cn1cnnn1.
What is the InChIKey of (Z)-but-2-ene;1-methyltetrazole?
The InChIKey is QDXYPCLFBVDEMW-LNKPDPKZSA-N. The full InChI is InChI=1S/C4H8.C2H4N4/c1-3-4-2;1-6-2-3-4-5-6/h3-4H,1-2H3;2H,1H3/b4-3-;.
What are the key properties of (Z)-but-2-ene;1-methyltetrazole?
(Z)-but-2-ene;1-methyltetrazole has a molecular weight of 140.19 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;1-methyltetrazole is sourced from PubChem (CID 144527870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).