1-(1,2,5-triazonin-2-yl)-1,2,5-triazonine-6-carboxamide

C13H13N7O — CID 175768938

IUPAC1-(1,2,5-triazonin-2-yl)-1,2,5-triazonine-6-carboxamide
SMILESNC(=O)c1cccn(-n2ccnccccn2)nccn1
InChIInChI=1S/C13H13N7O/c14-13(21)12-4-3-10-19(18-8-7-16-12)20-11-9-15-5-1-2-6-17-20/h1-11H,(H2,14,21)/b2-1-,10-3-,11-9-,12-4-,15-5-,16-7-,17-6-,18-8-
InChIKeyBHRUGYZTYAIQJK-XXBNNLKZSA-N
MW283.30 g/mol
LogP0.53
Rot. Bonds2

About 1-(1,2,5-triazonin-2-yl)-1,2,5-triazonine-6-carboxamide

1-(1,2,5-triazonin-2-yl)-1,2,5-triazonine-6-carboxamide (PubChem CID 175768938) has the molecular formula C13H13N7O and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-(1,2,5-triazonin-2-yl)-1,2,5-triazonine-6-carboxamide.

Molecular Properties

Compound Name1-(1,2,5-triazonin-2-yl)-1,2,5-triazonine-6-carboxamide
PubChem CID175768938
Molecular FormulaC13H13N7O
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name1-(1,2,5-triazonin-2-yl)-1,2,5-triazonine-6-carboxamide
SMILESNC(=O)c1cccn(-n2ccnccccn2)nccn1
InChIInChI=1S/C13H13N7O/c14-13(21)12-4-3-10-19(18-8-7-16-12)20-11-9-15-5-1-2-6-17-20/h1-11H,(H2,14,21)/b2-1-,10-3-,11-9-,12-4-,15-5-,16-7-,17-6-,18-8-
InChIKeyBHRUGYZTYAIQJK-XXBNNLKZSA-N
XLogP0.53
TPSA104.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,5-triazonin-2-yl)-1,2,5-triazonine-6-carboxamide?
The IUPAC name of 1-(1,2,5-triazonin-2-yl)-1,2,5-triazonine-6-carboxamide (CID 175768938) is 1-(1,2,5-triazonin-2-yl)-1,2,5-triazonine-6-carboxamide.
What is the SMILES notation for 1-(1,2,5-triazonin-2-yl)-1,2,5-triazonine-6-carboxamide?
The canonical SMILES for 1-(1,2,5-triazonin-2-yl)-1,2,5-triazonine-6-carboxamide is NC(=O)c1cccn(-n2ccnccccn2)nccn1.
What is the InChIKey of 1-(1,2,5-triazonin-2-yl)-1,2,5-triazonine-6-carboxamide?
The InChIKey is BHRUGYZTYAIQJK-XXBNNLKZSA-N. The full InChI is InChI=1S/C13H13N7O/c14-13(21)12-4-3-10-19(18-8-7-16-12)20-11-9-15-5-1-2-6-17-20/h1-11H,(H2,14,21)/b2-1-,10-3-,11-9-,12-4-,15-5-,16-7-,17-6-,18-8-.
What are the key properties of 1-(1,2,5-triazonin-2-yl)-1,2,5-triazonine-6-carboxamide?
1-(1,2,5-triazonin-2-yl)-1,2,5-triazonine-6-carboxamide has a molecular weight of 283.30 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,5-triazonin-2-yl)-1,2,5-triazonine-6-carboxamide is sourced from PubChem (CID 175768938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).