1-[(Z)-prop-1-enyl]-1,2,4-triazole

C5H7N3 — CID 13133626

IUPAC1-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC/C=C\n1cncn1
InChIInChI=1S/C5H7N3/c1-2-3-8-5-6-4-7-8/h2-5H,1H3/b3-2-
InChIKeyUGSDDPANJKVXKN-IHWYPQMZSA-N
MW109.13 g/mol
LogP0.77
Rot. Bonds1

About 1-[(Z)-prop-1-enyl]-1,2,4-triazole

1-[(Z)-prop-1-enyl]-1,2,4-triazole (PubChem CID 13133626) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 1-[(Z)-prop-1-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(Z)-prop-1-enyl]-1,2,4-triazole
PubChem CID13133626
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name1-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC/C=C\n1cncn1
InChIInChI=1S/C5H7N3/c1-2-3-8-5-6-4-7-8/h2-5H,1H3/b3-2-
InChIKeyUGSDDPANJKVXKN-IHWYPQMZSA-N
XLogP0.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Vinyl-1,2,4-triazole
CID 565261
1H-1,2,4-Triazole, 1-(2-propenyl)-
CID 572564
1-propa-1,2-dien-1-yl-1H-1,2,4-triazole
CID 642207
4-Ethenyl-4H-1,2,4-triazole
CID 13739248
N-isopropenyl-1,2,4-tri-azole
CID 21593524
1-(2-Fluoroethenyl)-1,2,4-triazole
CID 70575401
1-[(1Z)-2-fluorobuta-1,3-dienyl]-1,2,4-triazole
CID 143413676
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-[(E)-but-2-enyl]-1,2,4-triazole
CID 12591949

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-prop-1-enyl]-1,2,4-triazole?
The IUPAC name of 1-[(Z)-prop-1-enyl]-1,2,4-triazole (CID 13133626) is 1-[(Z)-prop-1-enyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(Z)-prop-1-enyl]-1,2,4-triazole?
The canonical SMILES for 1-[(Z)-prop-1-enyl]-1,2,4-triazole is C/C=C\n1cncn1.
What is the InChIKey of 1-[(Z)-prop-1-enyl]-1,2,4-triazole?
The InChIKey is UGSDDPANJKVXKN-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H7N3/c1-2-3-8-5-6-4-7-8/h2-5H,1H3/b3-2-.
What are the key properties of 1-[(Z)-prop-1-enyl]-1,2,4-triazole?
1-[(Z)-prop-1-enyl]-1,2,4-triazole has a molecular weight of 109.13 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-prop-1-enyl]-1,2,4-triazole is sourced from PubChem (CID 13133626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).