11-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide

C15H15N5O — CID 140675816

IUPAC11-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
SMILESNC(=O)N1c2ncccc2N2CC1CC2c1ccccn1
InChIInChI=1S/C15H15N5O/c16-15(21)20-10-8-13(11-4-1-2-6-17-11)19(9-10)12-5-3-7-18-14(12)20/h1-7,10,13H,8-9H2,(H2,16,21)
InChIKeyUFMDCMYSLMRILA-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.70
Rot. Bonds1

About 11-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide

11-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide (PubChem CID 140675816) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 11-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide.

Molecular Properties

Compound Name11-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
PubChem CID140675816
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name11-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
SMILESNC(=O)N1c2ncccc2N2CC1CC2c1ccccn1
InChIInChI=1S/C15H15N5O/c16-15(21)20-10-8-13(11-4-1-2-6-17-11)19(9-10)12-5-3-7-18-14(12)20/h1-7,10,13H,8-9H2,(H2,16,21)
InChIKeyUFMDCMYSLMRILA-UHFFFAOYSA-N
XLogP1.70
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 11-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The IUPAC name of 11-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide (CID 140675816) is 11-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide.
What is the SMILES notation for 11-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The canonical SMILES for 11-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide is NC(=O)N1c2ncccc2N2CC1CC2c1ccccn1.
What is the InChIKey of 11-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The InChIKey is UFMDCMYSLMRILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-15(21)20-10-8-13(11-4-1-2-6-17-11)19(9-10)12-5-3-7-18-14(12)20/h1-7,10,13H,8-9H2,(H2,16,21).
What are the key properties of 11-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
11-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide is sourced from PubChem (CID 140675816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).