1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

C17H23N5O — CID 118746854

IUPAC1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCOCC1c2nnn(CC3CC3)c2CCN1Cc1ccncc1
InChIInChI=1S/C17H23N5O/c1-23-12-16-17-15(22(20-19-17)11-13-2-3-13)6-9-21(16)10-14-4-7-18-8-5-14/h4-5,7-8,13,16H,2-3,6,9-12H2,1H3
InChIKeyFTRPQXLLEGYUNO-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.83
Rot. Bonds6

About 1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 118746854) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID118746854
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCOCC1c2nnn(CC3CC3)c2CCN1Cc1ccncc1
InChIInChI=1S/C17H23N5O/c1-23-12-16-17-15(22(20-19-17)11-13-2-3-13)6-9-21(16)10-14-4-7-18-8-5-14/h4-5,7-8,13,16H,2-3,6,9-12H2,1H3
InChIKeyFTRPQXLLEGYUNO-UHFFFAOYSA-N
XLogP1.83
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine with MolForge

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Related Compounds

(3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine
CID 97460505
3-(methoxymethyl)-1-propan-2-yl-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97519988
2-[[1-(2-Methoxyethyl)piperidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
CID 110102386
7-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739518
7-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739628
1-[4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118740724
4-(methoxymethyl)-2-methyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 118741136
4-(methoxymethyl)-2-methyl-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 118741139
7-(cyclopropylmethoxymethyl)-2-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 118741161
5-benzyl-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 118741178
2-ethyl-7-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 118741207
7-(cyclopropylmethoxymethyl)-1-ethyl-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118745708

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of 1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 118746854) is 1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is COCC1c2nnn(CC3CC3)c2CCN1Cc1ccncc1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is FTRPQXLLEGYUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-23-12-16-17-15(22(20-19-17)11-13-2-3-13)6-9-21(16)10-14-4-7-18-8-5-14/h4-5,7-8,13,16H,2-3,6,9-12H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 313.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 118746854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).