1-pent-1-enyl-1,2,4-triazole

C7H11N3 — CID 152744998

IUPAC1-pent-1-enyl-1,2,4-triazole
SMILESCCCC=Cn1cncn1
InChIInChI=1S/C7H11N3/c1-2-3-4-5-10-7-8-6-9-10/h4-7H,2-3H2,1H3
InChIKeyMSOFCGWDGDECQH-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.55
Rot. Bonds3

About 1-pent-1-enyl-1,2,4-triazole

1-pent-1-enyl-1,2,4-triazole (PubChem CID 152744998) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-pent-1-enyl-1,2,4-triazole.

Molecular Properties

Compound Name1-pent-1-enyl-1,2,4-triazole
PubChem CID152744998
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-pent-1-enyl-1,2,4-triazole
SMILESCCCC=Cn1cncn1
InChIInChI=1S/C7H11N3/c1-2-3-4-5-10-7-8-6-9-10/h4-7H,2-3H2,1H3
InChIKeyMSOFCGWDGDECQH-UHFFFAOYSA-N
XLogP1.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1Z)-2-fluorobuta-1,3-dienyl]-1,2,4-triazole
CID 143413676
Ugsddpanjkvxkn-ihwypqmzsa-
CID 13133626
1-Ethenyl-4-methyl-1,2,4-triazol-4-ium
CID 1271662
1-But-1-enyl-1,2,4-triazole
CID 3799311
1-[(E)-but-1-enyl]-1,2,4-triazole
CID 5926094
1-[(E)-prop-1-enyl]-1,2,4-triazole
CID 5934849
1-(But-3-en-1-yl)-1H-1,2,4-triazole
CID 11147711
1-Ethenyl-4-prop-2-enyl-1,2,4-triazol-4-ium
CID 13327784
1-[(E)-but-1-enyl]tetrazole
CID 20274597
(E)-6-(1,2,4-triazol-1-yl)hex-5-en-3-one
CID 21612023
4-Methylidene-1-(1,2,4-triazol-4-yl)pyridine
CID 23534348
1-But-1-enyltetrazole
CID 54440525

Frequently Asked Questions

What is the IUPAC name of 1-pent-1-enyl-1,2,4-triazole?
The IUPAC name of 1-pent-1-enyl-1,2,4-triazole (CID 152744998) is 1-pent-1-enyl-1,2,4-triazole.
What is the SMILES notation for 1-pent-1-enyl-1,2,4-triazole?
The canonical SMILES for 1-pent-1-enyl-1,2,4-triazole is CCCC=Cn1cncn1.
What is the InChIKey of 1-pent-1-enyl-1,2,4-triazole?
The InChIKey is MSOFCGWDGDECQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-3-4-5-10-7-8-6-9-10/h4-7H,2-3H2,1H3.
What are the key properties of 1-pent-1-enyl-1,2,4-triazole?
1-pent-1-enyl-1,2,4-triazole has a molecular weight of 137.19 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-1-enyl-1,2,4-triazole is sourced from PubChem (CID 152744998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).