N-[1-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide

C15H16F2N6O — CID 170348171

IUPACN-[1-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide
SMILESCC1c2nnn(C(F)F)c2-c2ccnc(NC(=O)C3CC3)c2N1C
InChIInChI=1S/C15H16F2N6O/c1-7-10-11(23(15(16)17)21-20-10)9-5-6-18-13(12(9)22(7)2)19-14(24)8-3-4-8/h5-8,15H,3-4H2,1-2H3,(H,18,19,24)
InChIKeyOEANHKVAAKUZAP-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.59
Rot. Bonds3

About N-[1-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide

N-[1-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide (PubChem CID 170348171) has the molecular formula C15H16F2N6O and a molecular weight of 334.33 g/mol. Its IUPAC name is N-[1-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide
PubChem CID170348171
Molecular FormulaC15H16F2N6O
Molecular Weight334.33 g/mol
Exact Mass334.14
IUPAC NameN-[1-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide
SMILESCC1c2nnn(C(F)F)c2-c2ccnc(NC(=O)C3CC3)c2N1C
InChIInChI=1S/C15H16F2N6O/c1-7-10-11(23(15(16)17)21-20-10)9-5-6-18-13(12(9)22(7)2)19-14(24)8-3-4-8/h5-8,15H,3-4H2,1-2H3,(H,18,19,24)
InChIKeyOEANHKVAAKUZAP-UHFFFAOYSA-N
XLogP2.59
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide (CID 170348171) is N-[1-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide is CC1c2nnn(C(F)F)c2-c2ccnc(NC(=O)C3CC3)c2N1C.
What is the InChIKey of N-[1-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is OEANHKVAAKUZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N6O/c1-7-10-11(23(15(16)17)21-20-10)9-5-6-18-13(12(9)22(7)2)19-14(24)8-3-4-8/h5-8,15H,3-4H2,1-2H3,(H,18,19,24).
What are the key properties of N-[1-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide?
N-[1-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 334.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170348171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).