14-methyl-5,8-dioxo-1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,6-diene-4-carboxamide

C14H18N4O3 — CID 164590424

IUPAC14-methyl-5,8-dioxo-1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,6-diene-4-carboxamide
SMILESCC1CCCCN2CN1n1cc(C(N)=O)c(=O)cc1C2=O
InChIInChI=1S/C14H18N4O3/c1-9-4-2-3-5-16-8-18(9)17-7-10(13(15)20)12(19)6-11(17)14(16)21/h6-7,9H,2-5,8H2,1H3,(H2,15,20)
InChIKeyINRLBFTVUGYJTM-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.13
Rot. Bonds1

About 14-methyl-5,8-dioxo-1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,6-diene-4-carboxamide

14-methyl-5,8-dioxo-1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,6-diene-4-carboxamide (PubChem CID 164590424) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 14-methyl-5,8-dioxo-1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,6-diene-4-carboxamide.

Molecular Properties

Compound Name14-methyl-5,8-dioxo-1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,6-diene-4-carboxamide
PubChem CID164590424
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name14-methyl-5,8-dioxo-1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,6-diene-4-carboxamide
SMILESCC1CCCCN2CN1n1cc(C(N)=O)c(=O)cc1C2=O
InChIInChI=1S/C14H18N4O3/c1-9-4-2-3-5-16-8-18(9)17-7-10(13(15)20)12(19)6-11(17)14(16)21/h6-7,9H,2-5,8H2,1H3,(H2,15,20)
InChIKeyINRLBFTVUGYJTM-UHFFFAOYSA-N
XLogP-0.13
TPSA88.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,7-Bis(2-methylpropyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 140685435
4,7-Dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 140685439
10,13-Dimethyl-5,8-dioxo-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 164590290
9,12-Dioxo-4-propan-2-yl-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 164809832
13-Methyl-5,8-dioxo-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6,11-triene-4-carboxamide
CID 169100409
5,8-Dioxo-1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,6,11-triene-4-carboxamide
CID 172817559

Frequently Asked Questions

What is the IUPAC name of 14-methyl-5,8-dioxo-1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,6-diene-4-carboxamide?
The IUPAC name of 14-methyl-5,8-dioxo-1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,6-diene-4-carboxamide (CID 164590424) is 14-methyl-5,8-dioxo-1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,6-diene-4-carboxamide.
What is the SMILES notation for 14-methyl-5,8-dioxo-1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,6-diene-4-carboxamide?
The canonical SMILES for 14-methyl-5,8-dioxo-1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,6-diene-4-carboxamide is CC1CCCCN2CN1n1cc(C(N)=O)c(=O)cc1C2=O.
What is the InChIKey of 14-methyl-5,8-dioxo-1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,6-diene-4-carboxamide?
The InChIKey is INRLBFTVUGYJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9-4-2-3-5-16-8-18(9)17-7-10(13(15)20)12(19)6-11(17)14(16)21/h6-7,9H,2-5,8H2,1H3,(H2,15,20).
What are the key properties of 14-methyl-5,8-dioxo-1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,6-diene-4-carboxamide?
14-methyl-5,8-dioxo-1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,6-diene-4-carboxamide has a molecular weight of 290.32 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-5,8-dioxo-1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,6-diene-4-carboxamide is sourced from PubChem (CID 164590424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).