5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide

C18H16FN5O2 — CID 71881070

IUPAC5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C2CC2)cn1
InChIInChI=1S/C18H16FN5O2/c1-26-15-9-6-13(10-20-15)21-18(25)16-17(11-2-3-11)24(23-22-16)14-7-4-12(19)5-8-14/h4-11H,2-3H2,1H3,(H,21,25)
InChIKeyAWLFEQNLAQNBHU-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.94
Rot. Bonds5

About 5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide

5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide (PubChem CID 71881070) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide
PubChem CID71881070
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C2CC2)cn1
InChIInChI=1S/C18H16FN5O2/c1-26-15-9-6-13(10-20-15)21-18(25)16-17(11-2-3-11)24(23-22-16)14-7-4-12(19)5-8-14/h4-11H,2-3H2,1H3,(H,21,25)
InChIKeyAWLFEQNLAQNBHU-UHFFFAOYSA-N
XLogP2.94
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide (CID 71881070) is 5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide is COc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C2CC2)cn1.
What is the InChIKey of 5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide?
The InChIKey is AWLFEQNLAQNBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-26-15-9-6-13(10-20-15)21-18(25)16-17(11-2-3-11)24(23-22-16)14-7-4-12(19)5-8-14/h4-11H,2-3H2,1H3,(H,21,25).
What are the key properties of 5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide?
5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide has a molecular weight of 353.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide is sourced from PubChem (CID 71881070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).