5-but-2-en-2-yl-1-methyltetrazole

C6H10N4 — CID 123464347

IUPAC5-but-2-en-2-yl-1-methyltetrazole
SMILESCC=C(C)c1nnnn1C
InChIInChI=1S/C6H10N4/c1-4-5(2)6-7-8-9-10(6)3/h4H,1-3H3
InChIKeyMAWJYMCXWNBHLM-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.63
Rot. Bonds1

About 5-but-2-en-2-yl-1-methyltetrazole

5-but-2-en-2-yl-1-methyltetrazole (PubChem CID 123464347) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-but-2-en-2-yl-1-methyltetrazole.

Molecular Properties

Compound Name5-but-2-en-2-yl-1-methyltetrazole
PubChem CID123464347
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name5-but-2-en-2-yl-1-methyltetrazole
SMILESCC=C(C)c1nnnn1C
InChIInChI=1S/C6H10N4/c1-4-5(2)6-7-8-9-10(6)3/h4H,1-3H3
InChIKeyMAWJYMCXWNBHLM-UHFFFAOYSA-N
XLogP0.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-but-2-en-2-yl-1-methyltetrazole?
The IUPAC name of 5-but-2-en-2-yl-1-methyltetrazole (CID 123464347) is 5-but-2-en-2-yl-1-methyltetrazole.
What is the SMILES notation for 5-but-2-en-2-yl-1-methyltetrazole?
The canonical SMILES for 5-but-2-en-2-yl-1-methyltetrazole is CC=C(C)c1nnnn1C.
What is the InChIKey of 5-but-2-en-2-yl-1-methyltetrazole?
The InChIKey is MAWJYMCXWNBHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-4-5(2)6-7-8-9-10(6)3/h4H,1-3H3.
What are the key properties of 5-but-2-en-2-yl-1-methyltetrazole?
5-but-2-en-2-yl-1-methyltetrazole has a molecular weight of 138.17 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-en-2-yl-1-methyltetrazole is sourced from PubChem (CID 123464347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).