8-amino-4-pentyl-11-propyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one

C17H24N4O — CID 10086185

IUPAC8-amino-4-pentyl-11-propyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one
SMILESCCCCCn1ncc2c(N)c3c(nc21)CC(CCC)C3=O
InChIInChI=1S/C17H24N4O/c1-3-5-6-8-21-17-12(10-19-21)15(18)14-13(20-17)9-11(7-4-2)16(14)22/h10-11H,3-9H2,1-2H3,(H2,18,20)
InChIKeyRTUREOKDTCTFBC-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.36
Rot. Bonds6

About 8-amino-4-pentyl-11-propyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one

8-amino-4-pentyl-11-propyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one (PubChem CID 10086185) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 8-amino-4-pentyl-11-propyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one.

Molecular Properties

Compound Name8-amino-4-pentyl-11-propyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one
PubChem CID10086185
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name8-amino-4-pentyl-11-propyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one
SMILESCCCCCn1ncc2c(N)c3c(nc21)CC(CCC)C3=O
InChIInChI=1S/C17H24N4O/c1-3-5-6-8-21-17-12(10-19-21)15(18)14-13(20-17)9-11(7-4-2)16(14)22/h10-11H,3-9H2,1-2H3,(H2,18,20)
InChIKeyRTUREOKDTCTFBC-UHFFFAOYSA-N
XLogP3.36
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-amino-6-ethyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 14590525
2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
CID 70481084
1-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
CID 57454903
4-amino-N-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 14590541
4-(4-amino-1-pentylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 57454904
[(E)-3-phenylprop-2-enyl] 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 70481088
1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 104708905
4-chloro-5-hydroxy-2-pentylpyridazin-3-one
CID 54683702
1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 19620000
5-(cyclobutylamino)-2-nonylpyridazin-3-one
CID 103220396
5-amino-6-chloro-3-dodecylpyrimidin-4-one
CID 114582630
5-[(3-oxo-4-propylcyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile
CID 57044560

Frequently Asked Questions

What is the IUPAC name of 8-amino-4-pentyl-11-propyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one?
The IUPAC name of 8-amino-4-pentyl-11-propyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one (CID 10086185) is 8-amino-4-pentyl-11-propyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one.
What is the SMILES notation for 8-amino-4-pentyl-11-propyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one?
The canonical SMILES for 8-amino-4-pentyl-11-propyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one is CCCCCn1ncc2c(N)c3c(nc21)CC(CCC)C3=O.
What is the InChIKey of 8-amino-4-pentyl-11-propyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one?
The InChIKey is RTUREOKDTCTFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-5-6-8-21-17-12(10-19-21)15(18)14-13(20-17)9-11(7-4-2)16(14)22/h10-11H,3-9H2,1-2H3,(H2,18,20).
What are the key properties of 8-amino-4-pentyl-11-propyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one?
8-amino-4-pentyl-11-propyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one has a molecular weight of 300.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-pentyl-11-propyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one is sourced from PubChem (CID 10086185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).