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

C18H23FN4O — CID 118743462

IUPAC1-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCOCC1CN(Cc2ccc(F)cc2)Cc2nnn(CC3CC3)c21
InChIInChI=1S/C18H23FN4O/c1-24-12-15-10-22(8-13-4-6-16(19)7-5-13)11-17-18(15)23(21-20-17)9-14-2-3-14/h4-7,14-15H,2-3,8-12H2,1H3
InChIKeyOWRNHSTWKQXVHE-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.57
Rot. Bonds6

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

1-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 118743462) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID118743462
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name1-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCOCC1CN(Cc2ccc(F)cc2)Cc2nnn(CC3CC3)c21
InChIInChI=1S/C18H23FN4O/c1-24-12-15-10-22(8-13-4-6-16(19)7-5-13)11-17-18(15)23(21-20-17)9-14-2-3-14/h4-7,14-15H,2-3,8-12H2,1H3
InChIKeyOWRNHSTWKQXVHE-UHFFFAOYSA-N
XLogP2.57
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of 1-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 118743462) is 1-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for 1-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is COCC1CN(Cc2ccc(F)cc2)Cc2nnn(CC3CC3)c21.
What is the InChIKey of 1-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is OWRNHSTWKQXVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-24-12-15-10-22(8-13-4-6-16(19)7-5-13)11-17-18(15)23(21-20-17)9-14-2-3-14/h4-7,14-15H,2-3,8-12H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
1-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 330.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 118743462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).