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

C14H16N6O — CID 170348041

IUPACN-(3,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide
SMILESCN1Cc2c(nnn2C)-c2ccnc(NC(=O)C3CC3)c21
InChIInChI=1S/C14H16N6O/c1-19-7-10-11(17-18-20(10)2)9-5-6-15-13(12(9)19)16-14(21)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,15,16,21)
InChIKeyXNTSHQIHHIJCQW-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.18
Rot. Bonds2

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

N-(3,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide (PubChem CID 170348041) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(3,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide
PubChem CID170348041
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC NameN-(3,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide
SMILESCN1Cc2c(nnn2C)-c2ccnc(NC(=O)C3CC3)c21
InChIInChI=1S/C14H16N6O/c1-19-7-10-11(17-18-20(10)2)9-5-6-15-13(12(9)19)16-14(21)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,15,16,21)
InChIKeyXNTSHQIHHIJCQW-UHFFFAOYSA-N
XLogP1.18
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide?
The IUPAC name of N-(3,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide (CID 170348041) is N-(3,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(3,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide is CN1Cc2c(nnn2C)-c2ccnc(NC(=O)C3CC3)c21.
What is the InChIKey of N-(3,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide?
The InChIKey is XNTSHQIHHIJCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-19-7-10-11(17-18-20(10)2)9-5-6-15-13(12(9)19)16-14(21)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,15,16,21).
What are the key properties of N-(3,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide?
N-(3,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide is sourced from PubChem (CID 170348041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).