1-[(E)-but-1-enyl]-2,3,4,5-tetramethyltriazole

C10H19N3 — CID 68589608

IUPAC1-[(E)-but-1-enyl]-2,3,4,5-tetramethyltriazole
SMILESCC/C=C/N1C(C)=C(C)N(C)N1C
InChIInChI=1S/C10H19N3/c1-6-7-8-13-10(3)9(2)11(4)12(13)5/h7-8H,6H2,1-5H3/b8-7+
InChIKeyVPAVIPBPBMIYKU-BQYQJAHWSA-N
MW181.28 g/mol
LogP2.17
Rot. Bonds2

About 1-[(E)-but-1-enyl]-2,3,4,5-tetramethyltriazole

1-[(E)-but-1-enyl]-2,3,4,5-tetramethyltriazole (PubChem CID 68589608) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-2,3,4,5-tetramethyltriazole.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-2,3,4,5-tetramethyltriazole
PubChem CID68589608
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-[(E)-but-1-enyl]-2,3,4,5-tetramethyltriazole
SMILESCC/C=C/N1C(C)=C(C)N(C)N1C
InChIInChI=1S/C10H19N3/c1-6-7-8-13-10(3)9(2)11(4)12(13)5/h7-8H,6H2,1-5H3/b8-7+
InChIKeyVPAVIPBPBMIYKU-BQYQJAHWSA-N
XLogP2.17
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-2,3,4,5-tetramethyltriazole?
The IUPAC name of 1-[(E)-but-1-enyl]-2,3,4,5-tetramethyltriazole (CID 68589608) is 1-[(E)-but-1-enyl]-2,3,4,5-tetramethyltriazole.
What is the SMILES notation for 1-[(E)-but-1-enyl]-2,3,4,5-tetramethyltriazole?
The canonical SMILES for 1-[(E)-but-1-enyl]-2,3,4,5-tetramethyltriazole is CC/C=C/N1C(C)=C(C)N(C)N1C.
What is the InChIKey of 1-[(E)-but-1-enyl]-2,3,4,5-tetramethyltriazole?
The InChIKey is VPAVIPBPBMIYKU-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H19N3/c1-6-7-8-13-10(3)9(2)11(4)12(13)5/h7-8H,6H2,1-5H3/b8-7+.
What are the key properties of 1-[(E)-but-1-enyl]-2,3,4,5-tetramethyltriazole?
1-[(E)-but-1-enyl]-2,3,4,5-tetramethyltriazole has a molecular weight of 181.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-2,3,4,5-tetramethyltriazole is sourced from PubChem (CID 68589608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).