4-but-2-enylidene-5-methylidene-1H-triazole

C7H9N3 — CID 123742148

IUPAC4-but-2-enylidene-5-methylidene-1H-triazole
SMILESC=c1[nH]nnc1=CC=CC
InChIInChI=1S/C7H9N3/c1-3-4-5-7-6(2)8-10-9-7/h3-5H,2H2,1H3,(H,8,9)
InChIKeyBLPGUDQMZLFJBN-UHFFFAOYSA-N
MW135.17 g/mol
LogP-0.43
Rot. Bonds1

About 4-but-2-enylidene-5-methylidene-1H-triazole

4-but-2-enylidene-5-methylidene-1H-triazole (PubChem CID 123742148) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 4-but-2-enylidene-5-methylidene-1H-triazole.

Molecular Properties

Compound Name4-but-2-enylidene-5-methylidene-1H-triazole
PubChem CID123742148
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name4-but-2-enylidene-5-methylidene-1H-triazole
SMILESC=c1[nH]nnc1=CC=CC
InChIInChI=1S/C7H9N3/c1-3-4-5-7-6(2)8-10-9-7/h3-5H,2H2,1H3,(H,8,9)
InChIKeyBLPGUDQMZLFJBN-UHFFFAOYSA-N
XLogP-0.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-but-2-enylidene-5-methylidene-1H-triazole?
The IUPAC name of 4-but-2-enylidene-5-methylidene-1H-triazole (CID 123742148) is 4-but-2-enylidene-5-methylidene-1H-triazole.
What is the SMILES notation for 4-but-2-enylidene-5-methylidene-1H-triazole?
The canonical SMILES for 4-but-2-enylidene-5-methylidene-1H-triazole is C=c1[nH]nnc1=CC=CC.
What is the InChIKey of 4-but-2-enylidene-5-methylidene-1H-triazole?
The InChIKey is BLPGUDQMZLFJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-3-4-5-7-6(2)8-10-9-7/h3-5H,2H2,1H3,(H,8,9).
What are the key properties of 4-but-2-enylidene-5-methylidene-1H-triazole?
4-but-2-enylidene-5-methylidene-1H-triazole has a molecular weight of 135.17 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-enylidene-5-methylidene-1H-triazole is sourced from PubChem (CID 123742148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).