6-amino-7H-tetrazolo[5,1-f][1,2,4]triazin-8-one

C3H3N7O — CID 135697271

IUPAC6-amino-7H-tetrazolo[5,1-f][1,2,4]triazin-8-one
SMILESNc1nn2nnnc2c(=O)[nH]1
InChIInChI=1S/C3H3N7O/c4-3-5-2(11)1-6-8-9-10(1)7-3/h(H3,4,5,7,11)
InChIKeyCGXOBJRUNVAVNV-UHFFFAOYSA-N
MW153.11 g/mol
LogP-2.21
Rot. Bonds

About 6-amino-7H-tetrazolo[5,1-f][1,2,4]triazin-8-one

6-amino-7H-tetrazolo[5,1-f][1,2,4]triazin-8-one (PubChem CID 135697271) has the molecular formula C3H3N7O and a molecular weight of 153.11 g/mol. Its IUPAC name is 6-amino-7H-tetrazolo[5,1-f][1,2,4]triazin-8-one.

Molecular Properties

Compound Name6-amino-7H-tetrazolo[5,1-f][1,2,4]triazin-8-one
PubChem CID135697271
Molecular FormulaC3H3N7O
Molecular Weight153.11 g/mol
Exact Mass153.04
IUPAC Name6-amino-7H-tetrazolo[5,1-f][1,2,4]triazin-8-one
SMILESNc1nn2nnnc2c(=O)[nH]1
InChIInChI=1S/C3H3N7O/c4-3-5-2(11)1-6-8-9-10(1)7-3/h(H3,4,5,7,11)
InChIKeyCGXOBJRUNVAVNV-UHFFFAOYSA-N
XLogP-2.21
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.11
LogP ≤ 5-2.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7H-tetrazolo[5,1-f][1,2,4]triazin-8-one?
The IUPAC name of 6-amino-7H-tetrazolo[5,1-f][1,2,4]triazin-8-one (CID 135697271) is 6-amino-7H-tetrazolo[5,1-f][1,2,4]triazin-8-one.
What is the SMILES notation for 6-amino-7H-tetrazolo[5,1-f][1,2,4]triazin-8-one?
The canonical SMILES for 6-amino-7H-tetrazolo[5,1-f][1,2,4]triazin-8-one is Nc1nn2nnnc2c(=O)[nH]1.
What is the InChIKey of 6-amino-7H-tetrazolo[5,1-f][1,2,4]triazin-8-one?
The InChIKey is CGXOBJRUNVAVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N7O/c4-3-5-2(11)1-6-8-9-10(1)7-3/h(H3,4,5,7,11).
What are the key properties of 6-amino-7H-tetrazolo[5,1-f][1,2,4]triazin-8-one?
6-amino-7H-tetrazolo[5,1-f][1,2,4]triazin-8-one has a molecular weight of 153.11 g/mol, XLogP of -2.21, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7H-tetrazolo[5,1-f][1,2,4]triazin-8-one is sourced from PubChem (CID 135697271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).