N-propyl-N-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]propan-1-amine

C17H23N5S — CID 5482375

IUPACN-propyl-N-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]propan-1-amine
SMILESCCCN(CCC)CCSc1nnc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C17H23N5S/c1-3-9-22(10-4-2)11-12-23-17-19-16-15(20-21-17)13-7-5-6-8-14(13)18-16/h5-8H,3-4,9-12H2,1-2H3,(H,18,19,21)
InChIKeyDFCUTQPMJQXNLQ-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.72
Rot. Bonds8

About N-propyl-N-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]propan-1-amine

N-propyl-N-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]propan-1-amine (PubChem CID 5482375) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-propyl-N-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-N-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]propan-1-amine
PubChem CID5482375
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC NameN-propyl-N-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]propan-1-amine
SMILESCCCN(CCC)CCSc1nnc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C17H23N5S/c1-3-9-22(10-4-2)11-12-23-17-19-16-15(20-21-17)13-7-5-6-8-14(13)18-16/h5-8H,3-4,9-12H2,1-2H3,(H,18,19,21)
InChIKeyDFCUTQPMJQXNLQ-UHFFFAOYSA-N
XLogP3.72
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]propan-1-amine?
The IUPAC name of N-propyl-N-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]propan-1-amine (CID 5482375) is N-propyl-N-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for N-propyl-N-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]propan-1-amine?
The canonical SMILES for N-propyl-N-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]propan-1-amine is CCCN(CCC)CCSc1nnc2c(n1)[nH]c1ccccc12.
What is the InChIKey of N-propyl-N-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]propan-1-amine?
The InChIKey is DFCUTQPMJQXNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S/c1-3-9-22(10-4-2)11-12-23-17-19-16-15(20-21-17)13-7-5-6-8-14(13)18-16/h5-8H,3-4,9-12H2,1-2H3,(H,18,19,21).
What are the key properties of N-propyl-N-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]propan-1-amine?
N-propyl-N-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]propan-1-amine has a molecular weight of 329.47 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 5482375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).