1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one

C18H24N4O2 — CID 97368730

IUPAC1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one
SMILESCOC[C@H]1c2nnn(C)c2CCN1C(=O)CCc1ccccc1C
InChIInChI=1S/C18H24N4O2/c1-13-6-4-5-7-14(13)8-9-17(23)22-11-10-15-18(16(22)12-24-3)19-20-21(15)2/h4-7,16H,8-12H2,1-3H3/t16-/m0/s1
InChIKeyNTIDYYXITGKRIQ-INIZCTEOSA-N
MW328.42 g/mol
LogP1.83
Rot. Bonds5

About 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one

1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one (PubChem CID 97368730) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one
PubChem CID97368730
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one
SMILESCOC[C@H]1c2nnn(C)c2CCN1C(=O)CCc1ccccc1C
InChIInChI=1S/C18H24N4O2/c1-13-6-4-5-7-14(13)8-9-17(23)22-11-10-15-18(16(22)12-24-3)19-20-21(15)2/h4-7,16H,8-12H2,1-3H3/t16-/m0/s1
InChIKeyNTIDYYXITGKRIQ-INIZCTEOSA-N
XLogP1.83
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one (CID 97368730) is 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one is COC[C@H]1c2nnn(C)c2CCN1C(=O)CCc1ccccc1C.
What is the InChIKey of 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one?
The InChIKey is NTIDYYXITGKRIQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-6-4-5-7-14(13)8-9-17(23)22-11-10-15-18(16(22)12-24-3)19-20-21(15)2/h4-7,16H,8-12H2,1-3H3/t16-/m0/s1.
What are the key properties of 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one?
1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one has a molecular weight of 328.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 97368730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).