5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide

C14H16FN5O2 — CID 169402641

IUPAC5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccc(CN2CCOCC2)c(F)c1
InChIInChI=1S/C14H16FN5O2/c15-11-7-9(12-13(14(16)21)18-19-17-12)1-2-10(11)8-20-3-5-22-6-4-20/h1-2,7H,3-6,8H2,(H2,16,21)(H,17,18,19)
InChIKeyKFLYPLKIGVETGR-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.54
Rot. Bonds4

About 5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide

5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169402641) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is 5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide
PubChem CID169402641
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC Name5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccc(CN2CCOCC2)c(F)c1
InChIInChI=1S/C14H16FN5O2/c15-11-7-9(12-13(14(16)21)18-19-17-12)1-2-10(11)8-20-3-5-22-6-4-20/h1-2,7H,3-6,8H2,(H2,16,21)(H,17,18,19)
InChIKeyKFLYPLKIGVETGR-UHFFFAOYSA-N
XLogP0.54
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide (CID 169402641) is 5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1ccc(CN2CCOCC2)c(F)c1.
What is the InChIKey of 5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is KFLYPLKIGVETGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O2/c15-11-7-9(12-13(14(16)21)18-19-17-12)1-2-10(11)8-20-3-5-22-6-4-20/h1-2,7H,3-6,8H2,(H2,16,21)(H,17,18,19).
What are the key properties of 5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide?
5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).