N-(2-hydroxyethyl)-8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide

C13H18N4O2 — CID 145084287

About N-(2-hydroxyethyl)-8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide

N-(2-hydroxyethyl)-8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide (PubChem CID 145084287) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide
• PubChem CID: 145084287
• Molecular Formula: C13H18N4O2
• Molecular Weight: 262.31 g/mol
• Exact Mass: 262.14
• IUPAC Name: N-(2-hydroxyethyl)-8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide
• SMILES: CN1c2nc(C(=O)NCCO)ccc2N2CCC1C2
• InChI: InChI=1S/C13H18N4O2/c1-16-9-4-6-17(8-9)11-3-2-10(15-12(11)16)13(19)14-5-7-18/h2-3,9,18H,4-8H2,1H3,(H,14,19)
• InChIKey: AFVRNARAMAOXTO-UHFFFAOYSA-N
• XLogP: -0.17
• TPSA: 68.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.31
LogP ≤ 5	-0.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide?

The IUPAC name of N-(2-hydroxyethyl)-8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide (CID 145084287) is N-(2-hydroxyethyl)-8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide.

What is the SMILES notation for N-(2-hydroxyethyl)-8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide?

The canonical SMILES for N-(2-hydroxyethyl)-8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide is CN1c2nc(C(=O)NCCO)ccc2N2CCC1C2.

What is the InChIKey of N-(2-hydroxyethyl)-8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide?

The InChIKey is AFVRNARAMAOXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16-9-4-6-17(8-9)11-3-2-10(15-12(11)16)13(19)14-5-7-18/h2-3,9,18H,4-8H2,1H3,(H,14,19).

What are the key properties of N-(2-hydroxyethyl)-8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide?

N-(2-hydroxyethyl)-8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide is sourced from PubChem (CID 145084287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).