1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

C19H24N6O — CID 118742914

IUPAC1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCn1cc(CN2CCc3c(nnn3C)C2COCc2ccccc2)cn1
InChIInChI=1S/C19H24N6O/c1-23-11-16(10-20-23)12-25-9-8-17-19(21-22-24(17)2)18(25)14-26-13-15-6-4-3-5-7-15/h3-7,10-11,18H,8-9,12-14H2,1-2H3
InChIKeyBVGVMGBKPNIEBR-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.86
Rot. Bonds6

About 1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 118742914) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID118742914
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCn1cc(CN2CCc3c(nnn3C)C2COCc2ccccc2)cn1
InChIInChI=1S/C19H24N6O/c1-23-11-16(10-20-23)12-25-9-8-17-19(21-22-24(17)2)18(25)14-26-13-15-6-4-3-5-7-15/h3-7,10-11,18H,8-9,12-14H2,1-2H3
InChIKeyBVGVMGBKPNIEBR-UHFFFAOYSA-N
XLogP1.86
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of 1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 118742914) is 1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for 1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is Cn1cc(CN2CCc3c(nnn3C)C2COCc2ccccc2)cn1.
What is the InChIKey of 1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is BVGVMGBKPNIEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-23-11-16(10-20-23)12-25-9-8-17-19(21-22-24(17)2)18(25)14-26-13-15-6-4-3-5-7-15/h3-7,10-11,18H,8-9,12-14H2,1-2H3.
What are the key properties of 1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 352.44 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 118742914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).