(7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine

C14H20N4OS — CID 97383247

IUPAC(7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCOC[C@H]1CN(Cc2ccc(C)s2)Cc2nnn(C)c21
InChIInChI=1S/C14H20N4OS/c1-10-4-5-12(20-10)7-18-6-11(9-19-3)14-13(8-18)15-16-17(14)2/h4-5,11H,6-9H2,1-3H3/t11-/m1/s1
InChIKeyIEDNZVRQEFZOCR-LLVKDONJSA-N
MW292.41 g/mol
LogP1.93
Rot. Bonds4

About (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine

(7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 97383247) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name(7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID97383247
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name(7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCOC[C@H]1CN(Cc2ccc(C)s2)Cc2nnn(C)c21
InChIInChI=1S/C14H20N4OS/c1-10-4-5-12(20-10)7-18-6-11(9-19-3)14-13(8-18)15-16-17(14)2/h4-5,11H,6-9H2,1-3H3/t11-/m1/s1
InChIKeyIEDNZVRQEFZOCR-LLVKDONJSA-N
XLogP1.93
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131653605
(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97368523
(7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 97382785
(7S)-7-(methoxymethyl)-2-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382463
(7R)-7-(ethoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382850
7-(methoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131660009
7-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 155845445
2-ethyl-4-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 171692567
N,N-dimethyl-2-[[(7S)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide
CID 97383334
(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97368938
4-methyl-5-[[1-methyl-7-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 131643152

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 97383247) is (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine is COC[C@H]1CN(Cc2ccc(C)s2)Cc2nnn(C)c21.
What is the InChIKey of (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is IEDNZVRQEFZOCR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10-4-5-12(20-10)7-18-6-11(9-19-3)14-13(8-18)15-16-17(14)2/h4-5,11H,6-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
(7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 292.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 97383247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).