5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-1,2,4-triazol-3-amine

C7H6N8 — CID 62792686

IUPAC5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nnc3ncccn23)n1
InChIInChI=1S/C7H6N8/c8-6-10-4(11-13-6)5-12-14-7-9-2-1-3-15(5)7/h1-3H,(H3,8,10,11,13)
InChIKeySOFPIQUCQUTYQO-UHFFFAOYSA-N
MW202.18 g/mol
LogP-0.51
Rot. Bonds1

About 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-1,2,4-triazol-3-amine

5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 62792686) has the molecular formula C7H6N8 and a molecular weight of 202.18 g/mol. Its IUPAC name is 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-1,2,4-triazol-3-amine
PubChem CID62792686
Molecular FormulaC7H6N8
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nnc3ncccn23)n1
InChIInChI=1S/C7H6N8/c8-6-10-4(11-13-6)5-12-14-7-9-2-1-3-15(5)7/h1-3H,(H3,8,10,11,13)
InChIKeySOFPIQUCQUTYQO-UHFFFAOYSA-N
XLogP-0.51
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-1,2,4-triazol-3-amine (CID 62792686) is 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2nnc3ncccn23)n1.
What is the InChIKey of 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is SOFPIQUCQUTYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N8/c8-6-10-4(11-13-6)5-12-14-7-9-2-1-3-15(5)7/h1-3H,(H3,8,10,11,13).
What are the key properties of 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-1,2,4-triazol-3-amine?
5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 202.18 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 62792686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).