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

C6H11ClN4O — CID 138040837

IUPAC7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCl.NC1CCn2c(n[nH]c2=O)C1
InChIInChI=1S/C6H10N4O.ClH/c7-4-1-2-10-5(3-4)8-9-6(10)11;/h4H,1-3,7H2,(H,9,11);1H
InChIKeyBXOVBFKMDYILQQ-UHFFFAOYSA-N
MW190.63 g/mol
LogP-0.73
Rot. Bonds

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

7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (PubChem CID 138040837) has the molecular formula C6H11ClN4O and a molecular weight of 190.63 g/mol. Its IUPAC name is 7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.

Molecular Properties

Compound Name7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
PubChem CID138040837
Molecular FormulaC6H11ClN4O
Molecular Weight190.63 g/mol
Exact Mass190.06
IUPAC Name7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCl.NC1CCn2c(n[nH]c2=O)C1
InChIInChI=1S/C6H10N4O.ClH/c7-4-1-2-10-5(3-4)8-9-6(10)11;/h4H,1-3,7H2,(H,9,11);1H
InChIKeyBXOVBFKMDYILQQ-UHFFFAOYSA-N
XLogP-0.73
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride with MolForge

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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
3-(Piperidin-3-YL)-4-(propan-2-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 81487694
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
7-amino-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 138040838
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
1-Ethyl-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propan-2-ylurea
CID 53597012

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;hydrochloride?
The IUPAC name of 7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (CID 138040837) is 7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.
What is the SMILES notation for 7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The canonical SMILES for 7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is Cl.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;hydrochloride?
The InChIKey is BXOVBFKMDYILQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O.ClH/c7-4-1-2-10-5(3-4)8-9-6(10)11;/h4H,1-3,7H2,(H,9,11);1H.
What are the key properties of 7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
7-amino-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of -0.73, 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;hydrochloride is sourced from PubChem (CID 138040837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).