[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(5-methylfuran-2-yl)methanone

C14H18N4O3 — CID 97368726

IUPAC[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(5-methylfuran-2-yl)methanone
SMILESCOC[C@H]1c2nnn(C)c2CCN1C(=O)c1ccc(C)o1
InChIInChI=1S/C14H18N4O3/c1-9-4-5-12(21-9)14(19)18-7-6-10-13(11(18)8-20-3)15-16-17(10)2/h4-5,11H,6-8H2,1-3H3/t11-/m0/s1
InChIKeyRDMVTIXEMOAJDA-NSHDSACASA-N
MW290.32 g/mol
LogP1.10
Rot. Bonds3

About [(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(5-methylfuran-2-yl)methanone

[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 97368726) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is [(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(5-methylfuran-2-yl)methanone
PubChem CID97368726
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(5-methylfuran-2-yl)methanone
SMILESCOC[C@H]1c2nnn(C)c2CCN1C(=O)c1ccc(C)o1
InChIInChI=1S/C14H18N4O3/c1-9-4-5-12(21-9)14(19)18-7-6-10-13(11(18)8-20-3)15-16-17(10)2/h4-5,11H,6-8H2,1-3H3/t11-/m0/s1
InChIKeyRDMVTIXEMOAJDA-NSHDSACASA-N
XLogP1.10
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(5-methylfuran-2-yl)methanone (CID 97368726) is [(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(5-methylfuran-2-yl)methanone is COC[C@H]1c2nnn(C)c2CCN1C(=O)c1ccc(C)o1.
What is the InChIKey of [(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is RDMVTIXEMOAJDA-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9-4-5-12(21-9)14(19)18-7-6-10-13(11(18)8-20-3)15-16-17(10)2/h4-5,11H,6-8H2,1-3H3/t11-/m0/s1.
What are the key properties of [(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(5-methylfuran-2-yl)methanone?
[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 290.32 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 97368726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).