2-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-N-cyclohexylacetamide

C23H27N5O — CID 121265652

IUPAC2-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-N-cyclohexylacetamide
SMILESNc1ncnc2c3c(n(-c4ccc(CC(=O)NC5CCCCC5)cc4)c12)CCC3
InChIInChI=1S/C23H27N5O/c24-23-22-21(25-14-26-23)18-7-4-8-19(18)28(22)17-11-9-15(10-12-17)13-20(29)27-16-5-2-1-3-6-16/h9-12,14,16H,1-8,13H2,(H,27,29)(H2,24,25,26)
InChIKeyVGTVHHLVJCNFPB-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.48
Rot. Bonds4

About 2-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-N-cyclohexylacetamide

2-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-N-cyclohexylacetamide (PubChem CID 121265652) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-N-cyclohexylacetamide
PubChem CID121265652
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-N-cyclohexylacetamide
SMILESNc1ncnc2c3c(n(-c4ccc(CC(=O)NC5CCCCC5)cc4)c12)CCC3
InChIInChI=1S/C23H27N5O/c24-23-22-21(25-14-26-23)18-7-4-8-19(18)28(22)17-11-9-15(10-12-17)13-20(29)27-16-5-2-1-3-6-16/h9-12,14,16H,1-8,13H2,(H,27,29)(H2,24,25,26)
InChIKeyVGTVHHLVJCNFPB-UHFFFAOYSA-N
XLogP3.48
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-N-cyclohexylacetamide with MolForge

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Related Compounds

1-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-3-ethylurea
CID 66556924
N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]benzamide
CID 66556925
N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(1-methylpyrazol-3-yl)acetamide
CID 121265686
N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-3-(1-methylindol-3-yl)propanamide
CID 121265898
N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetamide
CID 121265694
2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide
CID 63588883
2-(4-aminophenyl)-N-cyclobutylacetamide
CID 62416481
2-[4-(9-amino-4-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]acetic acid
CID 121265913
N-cyclohexyl-2-(4-formylphenyl)acetamide
CID 142533026
2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide
CID 94804331
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-N-cyclohexylacetamide (CID 121265652) is 2-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-N-cyclohexylacetamide is Nc1ncnc2c3c(n(-c4ccc(CC(=O)NC5CCCCC5)cc4)c12)CCC3.
What is the InChIKey of 2-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-N-cyclohexylacetamide?
The InChIKey is VGTVHHLVJCNFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c24-23-22-21(25-14-26-23)18-7-4-8-19(18)28(22)17-11-9-15(10-12-17)13-20(29)27-16-5-2-1-3-6-16/h9-12,14,16H,1-8,13H2,(H,27,29)(H2,24,25,26).
What are the key properties of 2-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-N-cyclohexylacetamide?
2-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-N-cyclohexylacetamide has a molecular weight of 389.50 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-N-cyclohexylacetamide is sourced from PubChem (CID 121265652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).