3-amino-1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one

C6H8N6O — CID 14270043

IUPAC3-amino-1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
SMILESCc1nc2n(C)nc(N)c(=O)n2n1
InChIInChI=1S/C6H8N6O/c1-3-8-6-11(2)10-4(7)5(13)12(6)9-3/h1-2H3,(H2,7,10)
InChIKeyJNXDOBSUVZYTFL-UHFFFAOYSA-N
MW180.17 g/mol
LogP-1.29
Rot. Bonds

About 3-amino-1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one

3-amino-1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one (PubChem CID 14270043) has the molecular formula C6H8N6O and a molecular weight of 180.17 g/mol. Its IUPAC name is 3-amino-1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-amino-1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
PubChem CID14270043
Molecular FormulaC6H8N6O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name3-amino-1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
SMILESCc1nc2n(C)nc(N)c(=O)n2n1
InChIInChI=1S/C6H8N6O/c1-3-8-6-11(2)10-4(7)5(13)12(6)9-3/h1-2H3,(H2,7,10)
InChIKeyJNXDOBSUVZYTFL-UHFFFAOYSA-N
XLogP-1.29
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(aminomethyl)-1-methyl-1H-1,2,4-triazole-3-carboxamide
CID 22716009
Lwcuuclcxzuorj-uhfffaoysa-
CID 135697275
6-Amino-3-ethyl-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7h)-one
CID 135697276
1,5-dimethyl-1H-1,2,4-triazole-3-carboxamide
CID 45084121
1,3-Dimethyl-1 H-1,2,4-triazole-5-carboxamide
CID 135289779
5-Dimethylamino-2-methyl[1,2,4]triazolo[1,5-a][1,3,5]-triazin-7(3h)-one
CID 171118006
[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1,7-dimethyl-
CID 596585
2,4,6-Trimethyl-7-oxo-4,7-dihydro-triazolo(3,2-c)triazine
CID 601540
N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 20591092
N-(diaminomethylidene)-4,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 20591094
2-(3,5-Dimethyl-1,2,4-triazol-1-yl)acetamide
CID 60748121
4,5-Dimethyl-1,2,4-triazole-3-carboxamide
CID 83385566

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one?
The IUPAC name of 3-amino-1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one (CID 14270043) is 3-amino-1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-amino-1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-amino-1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one is Cc1nc2n(C)nc(N)c(=O)n2n1.
What is the InChIKey of 3-amino-1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one?
The InChIKey is JNXDOBSUVZYTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O/c1-3-8-6-11(2)10-4(7)5(13)12(6)9-3/h1-2H3,(H2,7,10).
What are the key properties of 3-amino-1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one?
3-amino-1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one has a molecular weight of 180.17 g/mol, XLogP of -1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 14270043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).