5-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine

C6H8N8 — CID 3954150

IUPAC5-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C=Cc2nc(N)n[nH]2)n1
InChIInChI=1S/C6H8N8/c7-5-9-3(11-13-5)1-2-4-10-6(8)14-12-4/h1-2H,(H3,7,9,11,13)(H3,8,10,12,14)
InChIKeyBILDYDAMQIMGAE-UHFFFAOYSA-N
MW192.19 g/mol
LogP-0.74
Rot. Bonds2

About 5-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine

5-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 3954150) has the molecular formula C6H8N8 and a molecular weight of 192.19 g/mol. Its IUPAC name is 5-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine
PubChem CID3954150
Molecular FormulaC6H8N8
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Name5-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C=Cc2nc(N)n[nH]2)n1
InChIInChI=1S/C6H8N8/c7-5-9-3(11-13-5)1-2-4-10-6(8)14-12-4/h1-2H,(H3,7,9,11,13)(H3,8,10,12,14)
InChIKeyBILDYDAMQIMGAE-UHFFFAOYSA-N
XLogP-0.74
TPSA135.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5,5'-ethane-1,2-diylbis(1H-1,2,4-triazol-3-amine) dinitrate
CID 367266
5-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazol-3-amine
CID 536693
(E)-1,2-bis(3,4-diamino-1,2,4-triazolium-5-yl)-ethene dichloride
CID 139147273
(E,E)-1,4-bis(3,4-diamino-1,2,4-triazolium-5-yl)-butadiene dichloride
CID 139147275
5-[(E)-2-(3,4-diamino-1H-1,2,4-triazol-4-ium-5-yl)ethenyl]-1H-1,2,4-triazol-4-ium-3,4-diamine diperchlorate
CID 139170753
5-[(E)-2-(3,4-diamino-1H-1,2,4-triazol-4-ium-5-yl)ethenyl]-1H-1,2,4-triazol-4-ium-3,4-diamine sulfate
CID 139170755
5-[(E)-2-(3,4-diamino-1H-1,2,4-triazol-4-ium-5-yl)ethenyl]-1H-1,2,4-triazol-4-ium-3,4-diamine dinitrate
CID 139170757
5,5'-(E)-ethene-1,2-diylbis(4H-1,2,4-triazol-3-amine)
CID 5968446
5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine
CID 56979604
4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-thiatriazole
CID 67418560
4-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-thiatriazole
CID 67418561
5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole
CID 142136411

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine (CID 3954150) is 5-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(C=Cc2nc(N)n[nH]2)n1.
What is the InChIKey of 5-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is BILDYDAMQIMGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N8/c7-5-9-3(11-13-5)1-2-4-10-6(8)14-12-4/h1-2H,(H3,7,9,11,13)(H3,8,10,12,14).
What are the key properties of 5-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine?
5-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 192.19 g/mol, XLogP of -0.74, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 3954150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).