5-(4,5-diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine

C4H8N10 — CID 102444114

IUPAC5-(4,5-diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine
SMILESNc1nnc(-c2nnc(N)n2N)n1N
InChIInChI=1S/C4H8N10/c5-3-11-9-1(13(3)7)2-10-12-4(6)14(2)8/h7-8H2,(H2,5,11)(H2,6,12)
InChIKeyACWIYSLOONRFJA-UHFFFAOYSA-N
MW196.18 g/mol
LogP-2.87
Rot. Bonds1

About 5-(4,5-diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine

5-(4,5-diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine (PubChem CID 102444114) has the molecular formula C4H8N10 and a molecular weight of 196.18 g/mol. Its IUPAC name is 5-(4,5-diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name5-(4,5-diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine
PubChem CID102444114
Molecular FormulaC4H8N10
Molecular Weight196.18 g/mol
Exact Mass196.09
IUPAC Name5-(4,5-diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine
SMILESNc1nnc(-c2nnc(N)n2N)n1N
InChIInChI=1S/C4H8N10/c5-3-11-9-1(13(3)7)2-10-12-4(6)14(2)8/h7-8H2,(H2,5,11)(H2,6,12)
InChIKeyACWIYSLOONRFJA-UHFFFAOYSA-N
XLogP-2.87
TPSA165.50 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 5-2.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine?
The IUPAC name of 5-(4,5-diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine (CID 102444114) is 5-(4,5-diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 5-(4,5-diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine?
The canonical SMILES for 5-(4,5-diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine is Nc1nnc(-c2nnc(N)n2N)n1N.
What is the InChIKey of 5-(4,5-diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine?
The InChIKey is ACWIYSLOONRFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N10/c5-3-11-9-1(13(3)7)2-10-12-4(6)14(2)8/h7-8H2,(H2,5,11)(H2,6,12).
What are the key properties of 5-(4,5-diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine?
5-(4,5-diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine has a molecular weight of 196.18 g/mol, XLogP of -2.87, 1 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 102444114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).