N-(1-aminoethylidene)-13-methyl-9-oxa-3,6,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaene-4-carboxamide

C14H15N5O2 — CID 123150819

IUPACN-(1-aminoethylidene)-13-methyl-9-oxa-3,6,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaene-4-carboxamide
SMILESC/C(N)=N\C(=O)c1cn2c(n1)-c1cc(C)ncc1OCC2
InChIInChI=1S/C14H15N5O2/c1-8-5-10-12(6-16-8)21-4-3-19-7-11(18-13(10)19)14(20)17-9(2)15/h5-7H,3-4H2,1-2H3,(H2,15,17,20)
InChIKeyABFMRKZYLQCORJ-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.16
Rot. Bonds1

About N-(1-aminoethylidene)-13-methyl-9-oxa-3,6,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaene-4-carboxamide

N-(1-aminoethylidene)-13-methyl-9-oxa-3,6,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaene-4-carboxamide (PubChem CID 123150819) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(1-aminoethylidene)-13-methyl-9-oxa-3,6,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaene-4-carboxamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-13-methyl-9-oxa-3,6,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaene-4-carboxamide
PubChem CID123150819
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-(1-aminoethylidene)-13-methyl-9-oxa-3,6,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaene-4-carboxamide
SMILESC/C(N)=N\C(=O)c1cn2c(n1)-c1cc(C)ncc1OCC2
InChIInChI=1S/C14H15N5O2/c1-8-5-10-12(6-16-8)21-4-3-19-7-11(18-13(10)19)14(20)17-9(2)15/h5-7H,3-4H2,1-2H3,(H2,15,17,20)
InChIKeyABFMRKZYLQCORJ-UHFFFAOYSA-N
XLogP1.16
TPSA95.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(1-aminoethylidene)-13-methyl-9-oxa-3,6,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaene-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-13-methyl-9-oxa-3,6,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaene-4-carboxamide?
The IUPAC name of N-(1-aminoethylidene)-13-methyl-9-oxa-3,6,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaene-4-carboxamide (CID 123150819) is N-(1-aminoethylidene)-13-methyl-9-oxa-3,6,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaene-4-carboxamide.
What is the SMILES notation for N-(1-aminoethylidene)-13-methyl-9-oxa-3,6,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaene-4-carboxamide?
The canonical SMILES for N-(1-aminoethylidene)-13-methyl-9-oxa-3,6,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaene-4-carboxamide is C/C(N)=N\C(=O)c1cn2c(n1)-c1cc(C)ncc1OCC2.
What is the InChIKey of N-(1-aminoethylidene)-13-methyl-9-oxa-3,6,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaene-4-carboxamide?
The InChIKey is ABFMRKZYLQCORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-8-5-10-12(6-16-8)21-4-3-19-7-11(18-13(10)19)14(20)17-9(2)15/h5-7H,3-4H2,1-2H3,(H2,15,17,20).
What are the key properties of N-(1-aminoethylidene)-13-methyl-9-oxa-3,6,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaene-4-carboxamide?
N-(1-aminoethylidene)-13-methyl-9-oxa-3,6,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaene-4-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-13-methyl-9-oxa-3,6,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaene-4-carboxamide is sourced from PubChem (CID 123150819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).