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

C10H14N6 — CID 44889687

IUPAC1-[(Z)-prop-1-enyl]-1,2,4-triazole;1-[(E)-prop-1-enyl]-1,2,4-triazole
SMILESC/C=C/n1cncn1.C/C=C\n1cncn1
InChIInChI=1S/2C5H7N3/c2*1-2-3-8-5-6-4-7-8/h2*2-5H,1H3/b3-2+;3-2-
InChIKeyWPYMMTRGWJYSSV-HVMWSGSDSA-N
MW218.26 g/mol
LogP1.54
Rot. Bonds2

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

1-[(Z)-prop-1-enyl]-1,2,4-triazole;1-[(E)-prop-1-enyl]-1,2,4-triazole (PubChem CID 44889687) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[(Z)-prop-1-enyl]-1,2,4-triazole;1-[(E)-prop-1-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(Z)-prop-1-enyl]-1,2,4-triazole;1-[(E)-prop-1-enyl]-1,2,4-triazole
PubChem CID44889687
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name1-[(Z)-prop-1-enyl]-1,2,4-triazole;1-[(E)-prop-1-enyl]-1,2,4-triazole
SMILESC/C=C/n1cncn1.C/C=C\n1cncn1
InChIInChI=1S/2C5H7N3/c2*1-2-3-8-5-6-4-7-8/h2*2-5H,1H3/b3-2+;3-2-
InChIKeyWPYMMTRGWJYSSV-HVMWSGSDSA-N
XLogP1.54
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ugsddpanjkvxkn-ihwypqmzsa-
CID 13133626
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
4-methyl-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)-2H-imidazol-1-yl]-1,2,4-triazole
CID 57832188
(Z)-N-[2-[(E)-prop-1-enyl]-1,2,4-triazol-3-yl]ethanimine
CID 144064772
Ethane;1-[1-(1,2,4-triazol-1-yl)but-1-enyl]-1,2,4-triazole
CID 145406815
N-[4-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine
CID 156574142
N-[2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]but-2-yn-1-imine
CID 173865205
1-Prop-1-enyl-1,2,4-triazole
CID 3831153
1-[(Z)-but-1-enyl]-1,2,4-triazole
CID 10558617
1-[2-Methyl-1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole
CID 10655290

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-prop-1-enyl]-1,2,4-triazole;1-[(E)-prop-1-enyl]-1,2,4-triazole?
The IUPAC name of 1-[(Z)-prop-1-enyl]-1,2,4-triazole;1-[(E)-prop-1-enyl]-1,2,4-triazole (CID 44889687) is 1-[(Z)-prop-1-enyl]-1,2,4-triazole;1-[(E)-prop-1-enyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(Z)-prop-1-enyl]-1,2,4-triazole;1-[(E)-prop-1-enyl]-1,2,4-triazole?
The canonical SMILES for 1-[(Z)-prop-1-enyl]-1,2,4-triazole;1-[(E)-prop-1-enyl]-1,2,4-triazole is C/C=C/n1cncn1.C/C=C\n1cncn1.
What is the InChIKey of 1-[(Z)-prop-1-enyl]-1,2,4-triazole;1-[(E)-prop-1-enyl]-1,2,4-triazole?
The InChIKey is WPYMMTRGWJYSSV-HVMWSGSDSA-N. The full InChI is InChI=1S/2C5H7N3/c2*1-2-3-8-5-6-4-7-8/h2*2-5H,1H3/b3-2+;3-2-.
What are the key properties of 1-[(Z)-prop-1-enyl]-1,2,4-triazole;1-[(E)-prop-1-enyl]-1,2,4-triazole?
1-[(Z)-prop-1-enyl]-1,2,4-triazole;1-[(E)-prop-1-enyl]-1,2,4-triazole has a molecular weight of 218.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-prop-1-enyl]-1,2,4-triazole;1-[(E)-prop-1-enyl]-1,2,4-triazole is sourced from PubChem (CID 44889687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).