7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C6H10N4O — CID 138040838

IUPAC7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNC1CCn2c(n[nH]c2=O)C1
InChIInChI=1S/C6H10N4O/c7-4-1-2-10-5(3-4)8-9-6(10)11/h4H,1-3,7H2,(H,9,11)
InChIKeyYAMLHRYTOYFXPH-UHFFFAOYSA-N
MW154.17 g/mol
LogP-1.16
Rot. Bonds

About 7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 138040838) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID138040838
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNC1CCn2c(n[nH]c2=O)C1
InChIInChI=1S/C6H10N4O/c7-4-1-2-10-5(3-4)8-9-6(10)11/h4H,1-3,7H2,(H,9,11)
InChIKeyYAMLHRYTOYFXPH-UHFFFAOYSA-N
XLogP-1.16
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 15105329
2-(3-aminopropyl)-2H,3H,5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-3-one
CID 39869105
4-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
CID 91643274
7-amino-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-one hydrochloride
CID 138040837
3-(Piperidin-3-YL)-4-(propan-2-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 81487694
7-Amino-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-A]azepin-3-one
CID 91910804
1-[3-(3-Oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3-propan-2-ylurea
CID 47236064
2,4-Dihydro-4-(4-piperidinyl)-3H-1,2,4-triazol-3-one
CID 68502202
5-(2-aminoethyl)-4-cyclohexyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50948622
4-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-1,2,4-triazol-5-one
CID 57900230
3-methyl-4-(1-methylpiperidin-4-yl)-1H-1,2,4-triazol-5-one
CID 68316635
ethane;3-methyl-4-(1-methylpiperidin-4-yl)-1H-1,2,4-triazol-5-one
CID 143873025

Frequently Asked Questions

What is the IUPAC name of 7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 138040838) is 7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is NC1CCn2c(n[nH]c2=O)C1.
What is the InChIKey of 7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is YAMLHRYTOYFXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c7-4-1-2-10-5(3-4)8-9-6(10)11/h4H,1-3,7H2,(H,9,11).
What are the key properties of 7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 154.17 g/mol, XLogP of -1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 138040838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).