N,N-dimethyl-2-[[(7R)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide

C17H25N5O2S — CID 97383340

IUPACN,N-dimethyl-2-[[(7R)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide
SMILESCc1ccc(CN2Cc3nnn(C)c3[C@H](COCC(=O)N(C)C)C2)s1
InChIInChI=1S/C17H25N5O2S/c1-12-5-6-14(25-12)8-22-7-13(10-24-11-16(23)20(2)3)17-15(9-22)18-19-21(17)4/h5-6,13H,7-11H2,1-4H3/t13-/m0/s1
InChIKeyIHIWQUWCMOYDEK-ZDUSSCGKSA-N
MW363.49 g/mol
LogP1.39
Rot. Bonds6

About N,N-dimethyl-2-[[(7R)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide

N,N-dimethyl-2-[[(7R)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide (PubChem CID 97383340) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(7R)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(7R)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide
PubChem CID97383340
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC NameN,N-dimethyl-2-[[(7R)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide
SMILESCc1ccc(CN2Cc3nnn(C)c3[C@H](COCC(=O)N(C)C)C2)s1
InChIInChI=1S/C17H25N5O2S/c1-12-5-6-14(25-12)8-22-7-13(10-24-11-16(23)20(2)3)17-15(9-22)18-19-21(17)4/h5-6,13H,7-11H2,1-4H3/t13-/m0/s1
InChIKeyIHIWQUWCMOYDEK-ZDUSSCGKSA-N
XLogP1.39
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(7R)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(7R)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide (CID 97383340) is N,N-dimethyl-2-[[(7R)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(7R)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(7R)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide is Cc1ccc(CN2Cc3nnn(C)c3[C@H](COCC(=O)N(C)C)C2)s1.
What is the InChIKey of N,N-dimethyl-2-[[(7R)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide?
The InChIKey is IHIWQUWCMOYDEK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-12-5-6-14(25-12)8-22-7-13(10-24-11-16(23)20(2)3)17-15(9-22)18-19-21(17)4/h5-6,13H,7-11H2,1-4H3/t13-/m0/s1.
What are the key properties of N,N-dimethyl-2-[[(7R)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide?
N,N-dimethyl-2-[[(7R)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide has a molecular weight of 363.49 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(7R)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide is sourced from PubChem (CID 97383340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).