5-N-cyclopropyl-8-N-pyridazin-3-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide

C18H19N7O2 — CID 140824596

IUPAC5-N-cyclopropyl-8-N-pyridazin-3-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
SMILESO=C(NC1CC1)c1ccc2c(n1)N(C(=O)Nc1cccnn1)C1CCN2C1
InChIInChI=1S/C18H19N7O2/c26-17(20-11-3-4-11)13-5-6-14-16(21-13)25(12-7-9-24(14)10-12)18(27)22-15-2-1-8-19-23-15/h1-2,5-6,8,11-12H,3-4,7,9-10H2,(H,20,26)(H,22,23,27)
InChIKeyVOEPATKTVWBTMU-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.39
Rot. Bonds3

About 5-N-cyclopropyl-8-N-pyridazin-3-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide

5-N-cyclopropyl-8-N-pyridazin-3-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide (PubChem CID 140824596) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 5-N-cyclopropyl-8-N-pyridazin-3-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclopropyl-8-N-pyridazin-3-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
PubChem CID140824596
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name5-N-cyclopropyl-8-N-pyridazin-3-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
SMILESO=C(NC1CC1)c1ccc2c(n1)N(C(=O)Nc1cccnn1)C1CCN2C1
InChIInChI=1S/C18H19N7O2/c26-17(20-11-3-4-11)13-5-6-14-16(21-13)25(12-7-9-24(14)10-12)18(27)22-15-2-1-8-19-23-15/h1-2,5-6,8,11-12H,3-4,7,9-10H2,(H,20,26)(H,22,23,27)
InChIKeyVOEPATKTVWBTMU-UHFFFAOYSA-N
XLogP1.39
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-cyclopropyl-8-N-pyridazin-3-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide with MolForge

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Related Compounds

5-N-cyclopropyl-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 140675854
8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 121358083
(9S)-5-(6-methyl-3-pyridinyl)-N-pyridazin-3-yl-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide
CID 118969300
(9S)-5-N-[(2S)-1-hydroxypropan-2-yl]-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 121358097
(9S)-5-(4-methyl-3-pyridinyl)-N-pyridazin-3-yl-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide
CID 118969340
methyl 2-[[8-(pyridin-2-ylcarbamoyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carbonyl]amino]acetate;2-[[8-(pyridin-2-ylcarbamoyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carbonyl]amino]acetic acid
CID 145084366
5-acetyl-N-(4-bromo-2-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 121357981
5-N-ethyl-8-N-(1,2-thiazol-3-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 145084161
(9S)-8-N-(4-bromo-2-pyridinyl)-5-N-propan-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 145084201
(9S)-5-(4-methylpentanoyl)-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 147959764
5-N-(2,2-difluorocyclopropyl)-8-N-[4-(2-hydroxyethoxy)-2-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 140824739
(9S)-5-N-methyl-8-N-pyridin-2-yl-5-N-(2,2,2-trifluoroethyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 121358144

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-8-N-pyridazin-3-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide?
The IUPAC name of 5-N-cyclopropyl-8-N-pyridazin-3-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide (CID 140824596) is 5-N-cyclopropyl-8-N-pyridazin-3-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide.
What is the SMILES notation for 5-N-cyclopropyl-8-N-pyridazin-3-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide?
The canonical SMILES for 5-N-cyclopropyl-8-N-pyridazin-3-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide is O=C(NC1CC1)c1ccc2c(n1)N(C(=O)Nc1cccnn1)C1CCN2C1.
What is the InChIKey of 5-N-cyclopropyl-8-N-pyridazin-3-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide?
The InChIKey is VOEPATKTVWBTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c26-17(20-11-3-4-11)13-5-6-14-16(21-13)25(12-7-9-24(14)10-12)18(27)22-15-2-1-8-19-23-15/h1-2,5-6,8,11-12H,3-4,7,9-10H2,(H,20,26)(H,22,23,27).
What are the key properties of 5-N-cyclopropyl-8-N-pyridazin-3-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide?
5-N-cyclopropyl-8-N-pyridazin-3-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide has a molecular weight of 365.40 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-8-N-pyridazin-3-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide is sourced from PubChem (CID 140824596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).