1,5-bis[(Z)-prop-1-enyl]-1,2,4-triazole

C8H11N3 — CID 142875393

IUPAC1,5-bis[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC/C=C\c1ncnn1/C=C\C
InChIInChI=1S/C8H11N3/c1-3-5-8-9-7-10-11(8)6-4-2/h3-7H,1-2H3/b5-3-,6-4-
InChIKeyURPOCFCOEJBJKE-GLIMQPGKSA-N
MW149.20 g/mol
LogP1.80
Rot. Bonds2

About 1,5-bis[(Z)-prop-1-enyl]-1,2,4-triazole

1,5-bis[(Z)-prop-1-enyl]-1,2,4-triazole (PubChem CID 142875393) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 1,5-bis[(Z)-prop-1-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name1,5-bis[(Z)-prop-1-enyl]-1,2,4-triazole
PubChem CID142875393
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name1,5-bis[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC/C=C\c1ncnn1/C=C\C
InChIInChI=1S/C8H11N3/c1-3-5-8-9-7-10-11(8)6-4-2/h3-7H,1-2H3/b5-3-,6-4-
InChIKeyURPOCFCOEJBJKE-GLIMQPGKSA-N
XLogP1.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Fluoro-7-methyl-[1,2,4]triazolo[1,5-a]azepine
CID 130428247
1-Ethenyl-3-methyl-1,2,4-triazole
CID 13739249
1-Ethenyl-5-methyl-1H-1,2,4-triazole
CID 13739250
1-Vinyl-1,2,4-triazole-acrylonitrile
CID 129880152
lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide
CID 134971062
1-(2-Fluoroprop-2-enyl)-5-methyl-1,2,4-triazole
CID 144028656
5H-pyrrolo[1,2-b][1,2,4]triazole
CID 22630677
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57246645
Lithium 5-methyl-1-phenyl-1,2,4-triazole
CID 58162954
1-Ethenyl-5-propan-2-yl-1,2,4-triazole
CID 58336971
3-Methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole
CID 58503812

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[(Z)-prop-1-enyl]-1,2,4-triazole?
The IUPAC name of 1,5-bis[(Z)-prop-1-enyl]-1,2,4-triazole (CID 142875393) is 1,5-bis[(Z)-prop-1-enyl]-1,2,4-triazole.
What is the SMILES notation for 1,5-bis[(Z)-prop-1-enyl]-1,2,4-triazole?
The canonical SMILES for 1,5-bis[(Z)-prop-1-enyl]-1,2,4-triazole is C/C=C\c1ncnn1/C=C\C.
What is the InChIKey of 1,5-bis[(Z)-prop-1-enyl]-1,2,4-triazole?
The InChIKey is URPOCFCOEJBJKE-GLIMQPGKSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-5-8-9-7-10-11(8)6-4-2/h3-7H,1-2H3/b5-3-,6-4-.
What are the key properties of 1,5-bis[(Z)-prop-1-enyl]-1,2,4-triazole?
1,5-bis[(Z)-prop-1-enyl]-1,2,4-triazole has a molecular weight of 149.20 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[(Z)-prop-1-enyl]-1,2,4-triazole is sourced from PubChem (CID 142875393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).