5-ethyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole

C7H11N3 — CID 57179090

IUPAC5-ethyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole
SMILESC/C=C/c1n[nH]c(CC)n1
InChIInChI=1S/C7H11N3/c1-3-5-7-8-6(4-2)9-10-7/h3,5H,4H2,1-2H3,(H,8,9,10)/b5-3+
InChIKeyVWGQTDGYTBNOJC-HWKANZROSA-N
MW137.19 g/mol
LogP1.40
Rot. Bonds2

About 5-ethyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole

5-ethyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole (PubChem CID 57179090) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 5-ethyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-ethyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole
PubChem CID57179090
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name5-ethyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole
SMILESC/C=C/c1n[nH]c(CC)n1
InChIInChI=1S/C7H11N3/c1-3-5-7-8-6(4-2)9-10-7/h3,5H,4H2,1-2H3,(H,8,9,10)/b5-3+
InChIKeyVWGQTDGYTBNOJC-HWKANZROSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-diethyl-1H-1,2,4-triazole
CID 15520387
3-methyl-5-propyl-1H-1,2,4-triazole
CID 19014014
5-ethyl-3-methyl-1H-1,2,4-triazole hydrochloride
CID 54593423
3-Methyl-5-ethyl-1H-1,2,4-triazole
CID 18714263
3-cyclohexa-1,5-dien-1-yl-5-propan-2-yl-1H-1,2,4-triazole
CID 17946487
5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine
CID 56979604
3-ethenyl-5-methyl-1H-1,2,4-triazole
CID 58904785
(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine
CID 59967520
5-prop-2-enyl-1H-1,2,4-triazol-3-amine
CID 66693144
5-prop-1-enyl-1H-1,2,4-triazole
CID 67571821
3,5-bis(prop-2-enyl)-1H-1,2,4-triazole
CID 67867832
5-[(E)-prop-1-enyl]-1H-1,2,4-triazole
CID 87792768

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole?
The IUPAC name of 5-ethyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole (CID 57179090) is 5-ethyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-ethyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-ethyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole is C/C=C/c1n[nH]c(CC)n1.
What is the InChIKey of 5-ethyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole?
The InChIKey is VWGQTDGYTBNOJC-HWKANZROSA-N. The full InChI is InChI=1S/C7H11N3/c1-3-5-7-8-6(4-2)9-10-7/h3,5H,4H2,1-2H3,(H,8,9,10)/b5-3+.
What are the key properties of 5-ethyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole?
5-ethyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole has a molecular weight of 137.19 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole is sourced from PubChem (CID 57179090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).