1,5-bis(ethenyl)-1,2,4-triazol-3-amine;ethane

C8H14N4 — CID 143819261

IUPAC1,5-bis(ethenyl)-1,2,4-triazol-3-amine;ethane
SMILESC=Cc1nc(N)nn1C=C.CC
InChIInChI=1S/C6H8N4.C2H6/c1-3-5-8-6(7)9-10(5)4-2;1-2/h3-4H,1-2H2,(H2,7,9);1-2H3
InChIKeyUSEBGTPZXCIESQ-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.63
Rot. Bonds2

About 1,5-bis(ethenyl)-1,2,4-triazol-3-amine;ethane

1,5-bis(ethenyl)-1,2,4-triazol-3-amine;ethane (PubChem CID 143819261) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1,5-bis(ethenyl)-1,2,4-triazol-3-amine;ethane.

Molecular Properties

Compound Name1,5-bis(ethenyl)-1,2,4-triazol-3-amine;ethane
PubChem CID143819261
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1,5-bis(ethenyl)-1,2,4-triazol-3-amine;ethane
SMILESC=Cc1nc(N)nn1C=C.CC
InChIInChI=1S/C6H8N4.C2H6/c1-3-5-8-6(7)9-10(5)4-2;1-2/h3-4H,1-2H2,(H2,7,9);1-2H3
InChIKeyUSEBGTPZXCIESQ-UHFFFAOYSA-N
XLogP1.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 87479583
5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 90201343
5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
CID 90299134
3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 118674639
N-[5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine
CID 118674821
N,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
CID 118675366
N-(5-methyl-2-prop-1-enyl-1,2,4-triazol-3-yl)methanimine
CID 123617120
9-Methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene
CID 126658836
N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine
CID 126658881
1,5-Bis(ethenyl)-1,2,4-triazole
CID 126685157

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(ethenyl)-1,2,4-triazol-3-amine;ethane?
The IUPAC name of 1,5-bis(ethenyl)-1,2,4-triazol-3-amine;ethane (CID 143819261) is 1,5-bis(ethenyl)-1,2,4-triazol-3-amine;ethane.
What is the SMILES notation for 1,5-bis(ethenyl)-1,2,4-triazol-3-amine;ethane?
The canonical SMILES for 1,5-bis(ethenyl)-1,2,4-triazol-3-amine;ethane is C=Cc1nc(N)nn1C=C.CC.
What is the InChIKey of 1,5-bis(ethenyl)-1,2,4-triazol-3-amine;ethane?
The InChIKey is USEBGTPZXCIESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4.C2H6/c1-3-5-8-6(7)9-10(5)4-2;1-2/h3-4H,1-2H2,(H2,7,9);1-2H3.
What are the key properties of 1,5-bis(ethenyl)-1,2,4-triazol-3-amine;ethane?
1,5-bis(ethenyl)-1,2,4-triazol-3-amine;ethane has a molecular weight of 166.23 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(ethenyl)-1,2,4-triazol-3-amine;ethane is sourced from PubChem (CID 143819261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).