4-[(E)-pent-1-enyl]-2H-triazole

C7H11N3 — CID 59603340

IUPAC4-[(E)-pent-1-enyl]-2H-triazole
SMILESCCC/C=C/c1cn[nH]n1
InChIInChI=1S/C7H11N3/c1-2-3-4-5-7-6-8-10-9-7/h4-6H,2-3H2,1H3,(H,8,9,10)/b5-4+
InChIKeyMTGQDLVYXYYJAQ-SNAWJCMRSA-N
MW137.19 g/mol
LogP1.62
Rot. Bonds3

About 4-[(E)-pent-1-enyl]-2H-triazole

4-[(E)-pent-1-enyl]-2H-triazole (PubChem CID 59603340) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 4-[(E)-pent-1-enyl]-2H-triazole.

Molecular Properties

Compound Name4-[(E)-pent-1-enyl]-2H-triazole
PubChem CID59603340
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name4-[(E)-pent-1-enyl]-2H-triazole
SMILESCCC/C=C/c1cn[nH]n1
InChIInChI=1S/C7H11N3/c1-2-3-4-5-7-6-8-10-9-7/h4-6H,2-3H2,1H3,(H,8,9,10)/b5-4+
InChIKeyMTGQDLVYXYYJAQ-SNAWJCMRSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-pent-1-enyl]-2H-triazole?
The IUPAC name of 4-[(E)-pent-1-enyl]-2H-triazole (CID 59603340) is 4-[(E)-pent-1-enyl]-2H-triazole.
What is the SMILES notation for 4-[(E)-pent-1-enyl]-2H-triazole?
The canonical SMILES for 4-[(E)-pent-1-enyl]-2H-triazole is CCC/C=C/c1cn[nH]n1.
What is the InChIKey of 4-[(E)-pent-1-enyl]-2H-triazole?
The InChIKey is MTGQDLVYXYYJAQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-3-4-5-7-6-8-10-9-7/h4-6H,2-3H2,1H3,(H,8,9,10)/b5-4+.
What are the key properties of 4-[(E)-pent-1-enyl]-2H-triazole?
4-[(E)-pent-1-enyl]-2H-triazole has a molecular weight of 137.19 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-pent-1-enyl]-2H-triazole is sourced from PubChem (CID 59603340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).