imidazo[1,5-c]triazole-1,4-diamine

C4H6N6 — CID 55285068

IUPACimidazo[1,5-c]triazole-1,4-diamine
SMILESNc1ncn2c1cnn2N
InChIInChI=1S/C4H6N6/c5-4-3-1-8-10(6)9(3)2-7-4/h1-2H,5-6H2
InChIKeyGNGDOQNRMSBOHP-UHFFFAOYSA-N
MW138.13 g/mol
LogP-1.17
Rot. Bonds

About imidazo[1,5-c]triazole-1,4-diamine

imidazo[1,5-c]triazole-1,4-diamine (PubChem CID 55285068) has the molecular formula C4H6N6 and a molecular weight of 138.13 g/mol. Its IUPAC name is imidazo[1,5-c]triazole-1,4-diamine.

Molecular Properties

Compound Nameimidazo[1,5-c]triazole-1,4-diamine
PubChem CID55285068
Molecular FormulaC4H6N6
Molecular Weight138.13 g/mol
Exact Mass138.07
IUPAC Nameimidazo[1,5-c]triazole-1,4-diamine
SMILESNc1ncn2c1cnn2N
InChIInChI=1S/C4H6N6/c5-4-3-1-8-10(6)9(3)2-7-4/h1-2H,5-6H2
InChIKeyGNGDOQNRMSBOHP-UHFFFAOYSA-N
XLogP-1.17
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,5-c]triazole-1,4-diamine?
The IUPAC name of imidazo[1,5-c]triazole-1,4-diamine (CID 55285068) is imidazo[1,5-c]triazole-1,4-diamine.
What is the SMILES notation for imidazo[1,5-c]triazole-1,4-diamine?
The canonical SMILES for imidazo[1,5-c]triazole-1,4-diamine is Nc1ncn2c1cnn2N.
What is the InChIKey of imidazo[1,5-c]triazole-1,4-diamine?
The InChIKey is GNGDOQNRMSBOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N6/c5-4-3-1-8-10(6)9(3)2-7-4/h1-2H,5-6H2.
What are the key properties of imidazo[1,5-c]triazole-1,4-diamine?
imidazo[1,5-c]triazole-1,4-diamine has a molecular weight of 138.13 g/mol, XLogP of -1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,5-c]triazole-1,4-diamine is sourced from PubChem (CID 55285068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).