N-(9-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide

C15H17FN6O — CID 177044906

IUPACN-(9-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide
SMILESCC1c2nn(C)nc2-c2c(F)cnc(NC(=O)C3CC3)c2N1C
InChIInChI=1S/C15H17FN6O/c1-7-11-12(20-22(3)19-11)10-9(16)6-17-14(13(10)21(7)2)18-15(23)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,17,18,23)
InChIKeyQXAZRHCSYKWRTF-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.88
Rot. Bonds2

About N-(9-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide

N-(9-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide (PubChem CID 177044906) has the molecular formula C15H17FN6O and a molecular weight of 316.34 g/mol. Its IUPAC name is N-(9-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(9-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide
PubChem CID177044906
Molecular FormulaC15H17FN6O
Molecular Weight316.34 g/mol
Exact Mass316.14
IUPAC NameN-(9-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide
SMILESCC1c2nn(C)nc2-c2c(F)cnc(NC(=O)C3CC3)c2N1C
InChIInChI=1S/C15H17FN6O/c1-7-11-12(20-22(3)19-11)10-9(16)6-17-14(13(10)21(7)2)18-15(23)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,17,18,23)
InChIKeyQXAZRHCSYKWRTF-UHFFFAOYSA-N
XLogP1.88
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(9-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide?
The IUPAC name of N-(9-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide (CID 177044906) is N-(9-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(9-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(9-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide is CC1c2nn(C)nc2-c2c(F)cnc(NC(=O)C3CC3)c2N1C.
What is the InChIKey of N-(9-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide?
The InChIKey is QXAZRHCSYKWRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6O/c1-7-11-12(20-22(3)19-11)10-9(16)6-17-14(13(10)21(7)2)18-15(23)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,17,18,23).
What are the key properties of N-(9-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide?
N-(9-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide has a molecular weight of 316.34 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide is sourced from PubChem (CID 177044906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).