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

C14H17F3N4O2 — CID 155001604

IUPAC8-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide
SMILESCN1c2nc(C(=O)NC(CO)C(F)(F)F)ccc2N2CCC1C2
InChIInChI=1S/C14H17F3N4O2/c1-20-8-4-5-21(6-8)10-3-2-9(18-12(10)20)13(23)19-11(7-22)14(15,16)17/h2-3,8,11,22H,4-7H2,1H3,(H,19,23)
InChIKeyNYDOJCUSVPTHTA-UHFFFAOYSA-N
MW330.31 g/mol
LogP0.76
Rot. Bonds3

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

8-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide (PubChem CID 155001604) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is 8-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide
PubChem CID155001604
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC Name8-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide
SMILESCN1c2nc(C(=O)NC(CO)C(F)(F)F)ccc2N2CCC1C2
InChIInChI=1S/C14H17F3N4O2/c1-20-8-4-5-21(6-8)10-3-2-9(18-12(10)20)13(23)19-11(7-22)14(15,16)17/h2-3,8,11,22H,4-7H2,1H3,(H,19,23)
InChIKeyNYDOJCUSVPTHTA-UHFFFAOYSA-N
XLogP0.76
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide?
The IUPAC name of 8-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide (CID 155001604) is 8-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide.
What is the SMILES notation for 8-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide?
The canonical SMILES for 8-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide is CN1c2nc(C(=O)NC(CO)C(F)(F)F)ccc2N2CCC1C2.
What is the InChIKey of 8-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide?
The InChIKey is NYDOJCUSVPTHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2/c1-20-8-4-5-21(6-8)10-3-2-9(18-12(10)20)13(23)19-11(7-22)14(15,16)17/h2-3,8,11,22H,4-7H2,1H3,(H,19,23).
What are the key properties of 8-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide?
8-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide is sourced from PubChem (CID 155001604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).