[1,2,4]triazolo[4,3-c]triazole-1,7-diamine

C3H5N7 — CID 69459678

IUPAC[1,2,4]triazolo[4,3-c]triazole-1,7-diamine
SMILESNc1nnn2cnn(N)c12
InChIInChI=1S/C3H5N7/c4-2-3-9(8-7-2)1-6-10(3)5/h1H,4-5H2
InChIKeyKATCJTCOXCMERN-UHFFFAOYSA-N
MW139.12 g/mol
LogP-1.78
Rot. Bonds

About [1,2,4]triazolo[4,3-c]triazole-1,7-diamine

[1,2,4]triazolo[4,3-c]triazole-1,7-diamine (PubChem CID 69459678) has the molecular formula C3H5N7 and a molecular weight of 139.12 g/mol. Its IUPAC name is [1,2,4]triazolo[4,3-c]triazole-1,7-diamine.

Molecular Properties

Compound Name[1,2,4]triazolo[4,3-c]triazole-1,7-diamine
PubChem CID69459678
Molecular FormulaC3H5N7
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name[1,2,4]triazolo[4,3-c]triazole-1,7-diamine
SMILESNc1nnn2cnn(N)c12
InChIInChI=1S/C3H5N7/c4-2-3-9(8-7-2)1-6-10(3)5/h1H,4-5H2
InChIKeyKATCJTCOXCMERN-UHFFFAOYSA-N
XLogP-1.78
TPSA100.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[4,3-c]triazole-1,7-diamine?
The IUPAC name of [1,2,4]triazolo[4,3-c]triazole-1,7-diamine (CID 69459678) is [1,2,4]triazolo[4,3-c]triazole-1,7-diamine.
What is the SMILES notation for [1,2,4]triazolo[4,3-c]triazole-1,7-diamine?
The canonical SMILES for [1,2,4]triazolo[4,3-c]triazole-1,7-diamine is Nc1nnn2cnn(N)c12.
What is the InChIKey of [1,2,4]triazolo[4,3-c]triazole-1,7-diamine?
The InChIKey is KATCJTCOXCMERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N7/c4-2-3-9(8-7-2)1-6-10(3)5/h1H,4-5H2.
What are the key properties of [1,2,4]triazolo[4,3-c]triazole-1,7-diamine?
[1,2,4]triazolo[4,3-c]triazole-1,7-diamine has a molecular weight of 139.12 g/mol, XLogP of -1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[4,3-c]triazole-1,7-diamine is sourced from PubChem (CID 69459678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).