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

C5H7N3 — CID 87792768

IUPAC5-[(E)-prop-1-enyl]-1H-1,2,4-triazole
SMILESC/C=C/c1ncn[nH]1
InChIInChI=1S/C5H7N3/c1-2-3-5-6-4-7-8-5/h2-4H,1H3,(H,6,7,8)/b3-2+
InChIKeyGDBJNWXINNUIFL-NSCUHMNNSA-N
MW109.13 g/mol
LogP0.84
Rot. Bonds1

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

5-[(E)-prop-1-enyl]-1H-1,2,4-triazole (PubChem CID 87792768) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 5-[(E)-prop-1-enyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[(E)-prop-1-enyl]-1H-1,2,4-triazole
PubChem CID87792768
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name5-[(E)-prop-1-enyl]-1H-1,2,4-triazole
SMILESC/C=C/c1ncn[nH]1
InChIInChI=1S/C5H7N3/c1-2-3-5-6-4-7-8-5/h2-4H,1H3,(H,6,7,8)/b3-2+
InChIKeyGDBJNWXINNUIFL-NSCUHMNNSA-N
XLogP0.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23891
Stk741258
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3-Allyl-1,2,4-triazole
CID 54043543
5-(Propen-2-yl)-1h-1,2,4-triazole
CID 68753131
5-[(E)-3-fluoroprop-1-enyl]-1H-1,2,4-triazole
CID 88290905
5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole
CID 67571187
[1,2,4]Triazolo[1,5-b]pyridazine-6-thiol
CID 17996065
2-(1H-1,2,4-triazol-5-yl)ethenone
CID 22708687
3-(1H-1,2,4-triazol-5-yl)prop-2-enylphosphonic acid
CID 53680633
5-hex-1-enyl-1H-1,2,4-triazole
CID 54111576
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-prop-1-enyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[(E)-prop-1-enyl]-1H-1,2,4-triazole (CID 87792768) is 5-[(E)-prop-1-enyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[(E)-prop-1-enyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[(E)-prop-1-enyl]-1H-1,2,4-triazole is C/C=C/c1ncn[nH]1.
What is the InChIKey of 5-[(E)-prop-1-enyl]-1H-1,2,4-triazole?
The InChIKey is GDBJNWXINNUIFL-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H7N3/c1-2-3-5-6-4-7-8-5/h2-4H,1H3,(H,6,7,8)/b3-2+.
What are the key properties of 5-[(E)-prop-1-enyl]-1H-1,2,4-triazole?
5-[(E)-prop-1-enyl]-1H-1,2,4-triazole has a molecular weight of 109.13 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-prop-1-enyl]-1H-1,2,4-triazole is sourced from PubChem (CID 87792768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).