ethane;4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole

C11H21N3 — CID 167479269

IUPACethane;4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC=Cn1cnnc1/C=C\C.CC.CC
InChIInChI=1S/C7H9N3.2C2H6/c1-3-5-7-9-8-6-10(7)4-2;2*1-2/h3-6H,2H2,1H3;2*1-2H3/b5-3-;;
InChIKeyCFMBZKQATKLMGV-ORIPCLHRSA-N
MW195.31 g/mol
LogP3.46
Rot. Bonds2

About ethane;4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole

ethane;4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole (PubChem CID 167479269) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is ethane;4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole.

Molecular Properties

Compound Nameethane;4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole
PubChem CID167479269
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Nameethane;4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC=Cn1cnnc1/C=C\C.CC.CC
InChIInChI=1S/C7H9N3.2C2H6/c1-3-5-7-9-8-6-10(7)4-2;2*1-2/h3-6H,2H2,1H3;2*1-2H3/b5-3-;;
InChIKeyCFMBZKQATKLMGV-ORIPCLHRSA-N
XLogP3.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethenyl-3-methyl-4H-1,2,4-triazole
CID 14545259
5H-pyrrolo[2,1-c][1,2,4]triazole
CID 22630679
7H-[1,2,4]triazolo[4,3-a][1,4]diazepine
CID 54002540
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342
3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57246645
CID 59806643
CID 59806643
6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
CID 68709462
1,5-Bis(ethenyl)-3-methyl-1,2,4-triazole
CID 70225297
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
3-methyl-4-[(1Z)-3-methylbuta-1,3-dienyl]-1,2,4-triazole
CID 89145136
5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 90201343

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole?
The IUPAC name of ethane;4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole (CID 167479269) is ethane;4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole.
What is the SMILES notation for ethane;4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole?
The canonical SMILES for ethane;4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole is C=Cn1cnnc1/C=C\C.CC.CC.
What is the InChIKey of ethane;4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole?
The InChIKey is CFMBZKQATKLMGV-ORIPCLHRSA-N. The full InChI is InChI=1S/C7H9N3.2C2H6/c1-3-5-7-9-8-6-10(7)4-2;2*1-2/h3-6H,2H2,1H3;2*1-2H3/b5-3-;;.
What are the key properties of ethane;4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole?
ethane;4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole has a molecular weight of 195.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole is sourced from PubChem (CID 167479269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).