ethane;1-ethenyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole

C9H15N3 — CID 142933455

IUPACethane;1-ethenyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC=Cn1ncnc1/C=C\C.CC
InChIInChI=1S/C7H9N3.C2H6/c1-3-5-7-8-6-9-10(7)4-2;1-2/h3-6H,2H2,1H3;1-2H3/b5-3-;
InChIKeyBKSPVPVDDQFVKR-FBZPGIPVSA-N
MW165.24 g/mol
LogP2.44
Rot. Bonds2

About ethane;1-ethenyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole

ethane;1-ethenyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole (PubChem CID 142933455) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is ethane;1-ethenyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole.

Molecular Properties

Compound Nameethane;1-ethenyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole
PubChem CID142933455
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Nameethane;1-ethenyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC=Cn1ncnc1/C=C\C.CC
InChIInChI=1S/C7H9N3.C2H6/c1-3-5-7-8-6-9-10(7)4-2;1-2/h3-6H,2H2,1H3;1-2H3/b5-3-;
InChIKeyBKSPVPVDDQFVKR-FBZPGIPVSA-N
XLogP2.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.44
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 ethane;1-ethenyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole?
The IUPAC name of ethane;1-ethenyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole (CID 142933455) is ethane;1-ethenyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole.
What is the SMILES notation for ethane;1-ethenyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole?
The canonical SMILES for ethane;1-ethenyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole is C=Cn1ncnc1/C=C\C.CC.
What is the InChIKey of ethane;1-ethenyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole?
The InChIKey is BKSPVPVDDQFVKR-FBZPGIPVSA-N. The full InChI is InChI=1S/C7H9N3.C2H6/c1-3-5-7-8-6-9-10(7)4-2;1-2/h3-6H,2H2,1H3;1-2H3/b5-3-;.
What are the key properties of ethane;1-ethenyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole?
ethane;1-ethenyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole has a molecular weight of 165.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole is sourced from PubChem (CID 142933455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).