6-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one

C17H18ClN5O2 — CID 162442128

IUPAC6-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
SMILESCC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1nc3ccc(Cl)cn3n1)C2
InChIInChI=1S/C17H18ClN5O2/c1-16(2)7-17(5-11(19)13(16)24)8-22(9-17)15(25)14-20-12-4-3-10(18)6-23(12)21-14/h3-6H,7-9,19H2,1-2H3
InChIKeyIJLZSUOJEPLBIG-UHFFFAOYSA-N
MW359.82 g/mol
LogP1.67
Rot. Bonds1

About 6-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one

6-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one (PubChem CID 162442128) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 6-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one.

Molecular Properties

Compound Name6-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
PubChem CID162442128
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name6-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
SMILESCC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1nc3ccc(Cl)cn3n1)C2
InChIInChI=1S/C17H18ClN5O2/c1-16(2)7-17(5-11(19)13(16)24)8-22(9-17)15(25)14-20-12-4-3-10(18)6-23(12)21-14/h3-6H,7-9,19H2,1-2H3
InChIKeyIJLZSUOJEPLBIG-UHFFFAOYSA-N
XLogP1.67
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
The IUPAC name of 6-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one (CID 162442128) is 6-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one.
What is the SMILES notation for 6-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
The canonical SMILES for 6-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one is CC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1nc3ccc(Cl)cn3n1)C2.
What is the InChIKey of 6-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
The InChIKey is IJLZSUOJEPLBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-16(2)7-17(5-11(19)13(16)24)8-22(9-17)15(25)14-20-12-4-3-10(18)6-23(12)21-14/h3-6H,7-9,19H2,1-2H3.
What are the key properties of 6-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
6-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one has a molecular weight of 359.82 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one is sourced from PubChem (CID 162442128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).