1-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)piperidine-4-carboxamide

C17H20N6O — CID 6624717

IUPAC1-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)piperidine-4-carboxamide
SMILESCCn1c2ccccc2c2nnc(N3CCC(C(N)=O)CC3)nc21
InChIInChI=1S/C17H20N6O/c1-2-23-13-6-4-3-5-12(13)14-16(23)19-17(21-20-14)22-9-7-11(8-10-22)15(18)24/h3-6,11H,2,7-10H2,1H3,(H2,18,24)
InChIKeyBBASJWFBBOENAQ-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.70
Rot. Bonds3

About 1-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)piperidine-4-carboxamide

1-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)piperidine-4-carboxamide (PubChem CID 6624717) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)piperidine-4-carboxamide
PubChem CID6624717
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name1-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)piperidine-4-carboxamide
SMILESCCn1c2ccccc2c2nnc(N3CCC(C(N)=O)CC3)nc21
InChIInChI=1S/C17H20N6O/c1-2-23-13-6-4-3-5-12(13)14-16(23)19-17(21-20-14)22-9-7-11(8-10-22)15(18)24/h3-6,11H,2,7-10H2,1H3,(H2,18,24)
InChIKeyBBASJWFBBOENAQ-UHFFFAOYSA-N
XLogP1.70
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)piperidine-4-carboxamide (CID 6624717) is 1-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)piperidine-4-carboxamide is CCn1c2ccccc2c2nnc(N3CCC(C(N)=O)CC3)nc21.
What is the InChIKey of 1-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)piperidine-4-carboxamide?
The InChIKey is BBASJWFBBOENAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-2-23-13-6-4-3-5-12(13)14-16(23)19-17(21-20-14)22-9-7-11(8-10-22)15(18)24/h3-6,11H,2,7-10H2,1H3,(H2,18,24).
What are the key properties of 1-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)piperidine-4-carboxamide?
1-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)piperidine-4-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 6624717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).