5-[(E)-2-(4,5-diamino-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole-3,4-diamine

C6H10N10 — CID 102444115

IUPAC5-[(E)-2-(4,5-diamino-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole-3,4-diamine
SMILESNc1nnc(/C=C/c2nnc(N)n2N)n1N
InChIInChI=1S/C6H10N10/c7-5-13-11-3(15(5)9)1-2-4-12-14-6(8)16(4)10/h1-2H,9-10H2,(H2,7,13)(H2,8,14)/b2-1+
InChIKeyBUWZCIGXSGXDHZ-OWOJBTEDSA-N
MW222.22 g/mol
LogP-2.37
Rot. Bonds2

About 5-[(E)-2-(4,5-diamino-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole-3,4-diamine

5-[(E)-2-(4,5-diamino-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole-3,4-diamine (PubChem CID 102444115) has the molecular formula C6H10N10 and a molecular weight of 222.22 g/mol. Its IUPAC name is 5-[(E)-2-(4,5-diamino-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name5-[(E)-2-(4,5-diamino-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole-3,4-diamine
PubChem CID102444115
Molecular FormulaC6H10N10
Molecular Weight222.22 g/mol
Exact Mass222.11
IUPAC Name5-[(E)-2-(4,5-diamino-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole-3,4-diamine
SMILESNc1nnc(/C=C/c2nnc(N)n2N)n1N
InChIInChI=1S/C6H10N10/c7-5-13-11-3(15(5)9)1-2-4-12-14-6(8)16(4)10/h1-2H,9-10H2,(H2,7,13)(H2,8,14)/b2-1+
InChIKeyBUWZCIGXSGXDHZ-OWOJBTEDSA-N
XLogP-2.37
TPSA165.50 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 5-2.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

(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-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine
CID 3954150
5-[(Z)-2-(3-amino-1H-1,2,4-triazol-5-yl)ethenyl]-1H-1,2,4-triazol-3-amine
CID 45047966
5-[(1E,3E)-4-(4,5-diamino-1,2,4-triazol-3-yl)buta-1,3-dienyl]-1,2,4-triazole-3,4-diamine
CID 102444116
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
CID 139147274
5-[(1E,3E)-4-(3,4-diamino-1H-1,2,4-triazol-4-ium-5-yl)buta-1,3-dienyl]-1H-1,2,4-triazol-4-ium-3,4-diamine
CID 139147276
5-[(E)-2-(3,4-diamino-1H-1,2,4-triazol-4-ium-5-yl)ethenyl]-1,2,4-triazole-3,4-diamine
CID 139170752

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4,5-diamino-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole-3,4-diamine?
The IUPAC name of 5-[(E)-2-(4,5-diamino-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole-3,4-diamine (CID 102444115) is 5-[(E)-2-(4,5-diamino-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 5-[(E)-2-(4,5-diamino-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole-3,4-diamine?
The canonical SMILES for 5-[(E)-2-(4,5-diamino-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole-3,4-diamine is Nc1nnc(/C=C/c2nnc(N)n2N)n1N.
What is the InChIKey of 5-[(E)-2-(4,5-diamino-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole-3,4-diamine?
The InChIKey is BUWZCIGXSGXDHZ-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H10N10/c7-5-13-11-3(15(5)9)1-2-4-12-14-6(8)16(4)10/h1-2H,9-10H2,(H2,7,13)(H2,8,14)/b2-1+.
What are the key properties of 5-[(E)-2-(4,5-diamino-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole-3,4-diamine?
5-[(E)-2-(4,5-diamino-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole-3,4-diamine has a molecular weight of 222.22 g/mol, XLogP of -2.37, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4,5-diamino-1,2,4-triazol-3-yl)ethenyl]-1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 102444115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).