(11S)-11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide

C12H14N4O2 — CID 10263936

IUPAC(11S)-11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide
SMILESC[C@H]1Cn2c(=O)[nH]c3ccc(C(N)=O)c(c32)CN1
InChIInChI=1S/C12H14N4O2/c1-6-5-16-10-8(4-14-6)7(11(13)17)2-3-9(10)15-12(16)18/h2-3,6,14H,4-5H2,1H3,(H2,13,17)(H,15,18)/t6-/m0/s1
InChIKeyWZNGTGCVYGFGLV-LURJTMIESA-N
MW246.27 g/mol
LogP-0.08
Rot. Bonds1

About (11S)-11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide

(11S)-11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide (PubChem CID 10263936) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is (11S)-11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide.

Molecular Properties

Compound Name(11S)-11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide
PubChem CID10263936
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name(11S)-11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide
SMILESC[C@H]1Cn2c(=O)[nH]c3ccc(C(N)=O)c(c32)CN1
InChIInChI=1S/C12H14N4O2/c1-6-5-16-10-8(4-14-6)7(11(13)17)2-3-9(10)15-12(16)18/h2-3,6,14H,4-5H2,1H3,(H2,13,17)(H,15,18)/t6-/m0/s1
InChIKeyWZNGTGCVYGFGLV-LURJTMIESA-N
XLogP-0.08
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 130041063
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2-methyl-4-(3-methylpiperazin-1-yl)benzamide
CID 81279360
10-amino-9-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 19919348
7-bromo-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one
CID 3010439
(11S)-10-(cyclopropylmethyl)-7-(hydroxymethylamino)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one
CID 10266911
5-[(3S)-3-methylpiperazin-1-yl]cinnoline-8-carboxamide
CID 175838980
2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875880
(11S)-10-(2,2-dimethylbut-3-enyl)-7,11-dimethyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one
CID 504498
3-chloro-4-(3-methylpiperazin-1-yl)benzamide
CID 65449432
2-methylazetidine;4-methylbenzamide
CID 67940263
3-fluoro-4-[(3-methylpiperazin-1-yl)methyl]benzamide
CID 65449051

Frequently Asked Questions

What is the IUPAC name of (11S)-11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide?
The IUPAC name of (11S)-11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide (CID 10263936) is (11S)-11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide.
What is the SMILES notation for (11S)-11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide?
The canonical SMILES for (11S)-11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide is C[C@H]1Cn2c(=O)[nH]c3ccc(C(N)=O)c(c32)CN1.
What is the InChIKey of (11S)-11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide?
The InChIKey is WZNGTGCVYGFGLV-LURJTMIESA-N. The full InChI is InChI=1S/C12H14N4O2/c1-6-5-16-10-8(4-14-6)7(11(13)17)2-3-9(10)15-12(16)18/h2-3,6,14H,4-5H2,1H3,(H2,13,17)(H,15,18)/t6-/m0/s1.
What are the key properties of (11S)-11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide?
(11S)-11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide has a molecular weight of 246.27 g/mol, XLogP of -0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide is sourced from PubChem (CID 10263936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).