[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-[(dimethylamino)methyl]azetidin-1-yl]methanone

C19H22N6O — CID 90107661

IUPAC[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-[(dimethylamino)methyl]azetidin-1-yl]methanone
SMILESCN(C)CC1CN(C(=O)c2ccc(-c3cccc4nc(N)nn34)cc2)C1
InChIInChI=1S/C19H22N6O/c1-23(2)10-13-11-24(12-13)18(26)15-8-6-14(7-9-15)16-4-3-5-17-21-19(20)22-25(16)17/h3-9,13H,10-12H2,1-2H3,(H2,20,22)
InChIKeyDUSAPGBHDWZACP-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.61
Rot. Bonds4

About [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-[(dimethylamino)methyl]azetidin-1-yl]methanone

[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-[(dimethylamino)methyl]azetidin-1-yl]methanone (PubChem CID 90107661) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-[(dimethylamino)methyl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-[(dimethylamino)methyl]azetidin-1-yl]methanone
PubChem CID90107661
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-[(dimethylamino)methyl]azetidin-1-yl]methanone
SMILESCN(C)CC1CN(C(=O)c2ccc(-c3cccc4nc(N)nn34)cc2)C1
InChIInChI=1S/C19H22N6O/c1-23(2)10-13-11-24(12-13)18(26)15-8-6-14(7-9-15)16-4-3-5-17-21-19(20)22-25(16)17/h3-9,13H,10-12H2,1-2H3,(H2,20,22)
InChIKeyDUSAPGBHDWZACP-UHFFFAOYSA-N
XLogP1.61
TPSA79.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-[(dimethylamino)methyl]azetidin-1-yl]methanone?
The IUPAC name of [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-[(dimethylamino)methyl]azetidin-1-yl]methanone (CID 90107661) is [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-[(dimethylamino)methyl]azetidin-1-yl]methanone.
What is the SMILES notation for [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-[(dimethylamino)methyl]azetidin-1-yl]methanone?
The canonical SMILES for [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-[(dimethylamino)methyl]azetidin-1-yl]methanone is CN(C)CC1CN(C(=O)c2ccc(-c3cccc4nc(N)nn34)cc2)C1.
What is the InChIKey of [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-[(dimethylamino)methyl]azetidin-1-yl]methanone?
The InChIKey is DUSAPGBHDWZACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-23(2)10-13-11-24(12-13)18(26)15-8-6-14(7-9-15)16-4-3-5-17-21-19(20)22-25(16)17/h3-9,13H,10-12H2,1-2H3,(H2,20,22).
What are the key properties of [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-[(dimethylamino)methyl]azetidin-1-yl]methanone?
[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-[(dimethylamino)methyl]azetidin-1-yl]methanone has a molecular weight of 350.43 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-[(dimethylamino)methyl]azetidin-1-yl]methanone is sourced from PubChem (CID 90107661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).