N-[3-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide

C15H16F2N6O — CID 172615765

IUPACN-[3-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide
SMILESCC1c2c(nnn2C(F)F)-c2ccnc(NC(=O)C3CC3)c2N1C
InChIInChI=1S/C15H16F2N6O/c1-7-11-10(20-21-23(11)15(16)17)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)
InChIKeyAWGJKQLSNZVQTA-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.59
Rot. Bonds3

About N-[3-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide

N-[3-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide (PubChem CID 172615765) has the molecular formula C15H16F2N6O and a molecular weight of 334.33 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide
PubChem CID172615765
Molecular FormulaC15H16F2N6O
Molecular Weight334.33 g/mol
Exact Mass334.14
IUPAC NameN-[3-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide
SMILESCC1c2c(nnn2C(F)F)-c2ccnc(NC(=O)C3CC3)c2N1C
InChIInChI=1S/C15H16F2N6O/c1-7-11-10(20-21-23(11)15(16)17)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)
InChIKeyAWGJKQLSNZVQTA-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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide (CID 172615765) is N-[3-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide is CC1c2c(nnn2C(F)F)-c2ccnc(NC(=O)C3CC3)c2N1C.
What is the InChIKey of N-[3-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is AWGJKQLSNZVQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N6O/c1-7-11-10(20-21-23(11)15(16)17)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-[3-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide?
N-[3-(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-[3-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 172615765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).