N-(5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide

C19H23N5O — CID 6416953

IUPACN-(5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide
SMILESCCn1c2ccc(C)cc2c2nnc(NC(=O)C3CCCCC3)nc21
InChIInChI=1S/C19H23N5O/c1-3-24-15-10-9-12(2)11-14(15)16-17(24)20-19(23-22-16)21-18(25)13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3,(H,20,21,23,25)
InChIKeyHZCSRWKWKIKCFL-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.83
Rot. Bonds3

About N-(5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide

N-(5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide (PubChem CID 6416953) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-(5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide
PubChem CID6416953
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-(5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide
SMILESCCn1c2ccc(C)cc2c2nnc(NC(=O)C3CCCCC3)nc21
InChIInChI=1S/C19H23N5O/c1-3-24-15-10-9-12(2)11-14(15)16-17(24)20-19(23-22-16)21-18(25)13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3,(H,20,21,23,25)
InChIKeyHZCSRWKWKIKCFL-UHFFFAOYSA-N
XLogP3.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[[8-methyl-5-[(4-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butanamide
CID 42738781
N-[9-ethyl-6-(hydroxymethyl)carbazol-3-yl]cyclohexanecarboxamide
CID 143174417
2-[3-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-8-methyl-[1,2,4]triazino[5,6-b]indol-5-yl]acetate
CID 7059578
2-[(5-benzyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]ethanone
CID 42658649
4-cyclopropyl-1-ethyl-6-methylquinolin-2-one;ethane
CID 145235316
N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 168512570
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide
CID 123821603
N-(2,6,8-trimethylquinolin-4-yl)cyclohexanecarboxamide
CID 43853809
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653
N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 131923639
N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113045805

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide (CID 6416953) is N-(5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide is CCn1c2ccc(C)cc2c2nnc(NC(=O)C3CCCCC3)nc21.
What is the InChIKey of N-(5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide?
The InChIKey is HZCSRWKWKIKCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-24-15-10-9-12(2)11-14(15)16-17(24)20-19(23-22-16)21-18(25)13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3,(H,20,21,23,25).
What are the key properties of N-(5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide?
N-(5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide has a molecular weight of 337.43 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 6416953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).