(6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide

C17H20N6O2 — CID 138019263

IUPAC(6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
SMILESO=C(NCc1ccc(=O)[nH]n1)N1Cc2ncccc2N2CCC[C@H]2C1
InChIInChI=1S/C17H20N6O2/c24-16-6-5-12(20-21-16)9-19-17(25)22-10-13-3-2-8-23(13)15-4-1-7-18-14(15)11-22/h1,4-7,13H,2-3,8-11H2,(H,19,25)(H,21,24)/t13-/m0/s1
InChIKeyXPGAUIHQTGOKMJ-ZDUSSCGKSA-N
MW340.39 g/mol
LogP0.86
Rot. Bonds2

About (6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide

(6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide (PubChem CID 138019263) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is (6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide.

Molecular Properties

Compound Name(6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
PubChem CID138019263
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name(6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
SMILESO=C(NCc1ccc(=O)[nH]n1)N1Cc2ncccc2N2CCC[C@H]2C1
InChIInChI=1S/C17H20N6O2/c24-16-6-5-12(20-21-16)9-19-17(25)22-10-13-3-2-8-23(13)15-4-1-7-18-14(15)11-22/h1,4-7,13H,2-3,8-11H2,(H,19,25)(H,21,24)/t13-/m0/s1
InChIKeyXPGAUIHQTGOKMJ-ZDUSSCGKSA-N
XLogP0.86
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide with MolForge

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Related Compounds

(6S)-N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 136585729
3-methyl-4-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carbonyl]-1H-imidazol-2-one
CID 138022220
(2-propan-2-yl-1H-pyrrol-3-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone
CID 138022195
(3-methoxy-1,2-thiazol-5-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone
CID 138022215
2-[2-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
CID 146139791
(6R)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 138053497
(3R)-N-benzyl-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 95047911
1-(1-benzylazocan-3-yl)-3-[(6-oxo-1H-pyridazin-3-yl)methyl]urea
CID 138056976
(6R)-N-[(1-methoxycyclopentyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 138019246
N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
CID 108887313
4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 167833760
4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
CID 108887249

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
The IUPAC name of (6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide (CID 138019263) is (6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide.
What is the SMILES notation for (6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
The canonical SMILES for (6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide is O=C(NCc1ccc(=O)[nH]n1)N1Cc2ncccc2N2CCC[C@H]2C1.
What is the InChIKey of (6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
The InChIKey is XPGAUIHQTGOKMJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N6O2/c24-16-6-5-12(20-21-16)9-19-17(25)22-10-13-3-2-8-23(13)15-4-1-7-18-14(15)11-22/h1,4-7,13H,2-3,8-11H2,(H,19,25)(H,21,24)/t13-/m0/s1.
What are the key properties of (6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
(6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide is sourced from PubChem (CID 138019263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).