N-(furan-2-ylmethyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

C19H19N5O2S — CID 2894025

IUPACN-(furan-2-ylmethyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
SMILESCCCn1c2ccccc2c2nnc(SCC(=O)NCc3ccco3)nc21
InChIInChI=1S/C19H19N5O2S/c1-2-9-24-15-8-4-3-7-14(15)17-18(24)21-19(23-22-17)27-12-16(25)20-11-13-6-5-10-26-13/h3-8,10H,2,9,11-12H2,1H3,(H,20,25)
InChIKeyRUFFBEGUDNWJCH-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.39
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

N-(furan-2-ylmethyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide (PubChem CID 2894025) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
PubChem CID2894025
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-(furan-2-ylmethyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
SMILESCCCn1c2ccccc2c2nnc(SCC(=O)NCc3ccco3)nc21
InChIInChI=1S/C19H19N5O2S/c1-2-9-24-15-8-4-3-7-14(15)17-18(24)21-19(23-22-17)27-12-16(25)20-11-13-6-5-10-26-13/h3-8,10H,2,9,11-12H2,1H3,(H,20,25)
InChIKeyRUFFBEGUDNWJCH-UHFFFAOYSA-N
XLogP3.39
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide (CID 2894025) is N-(furan-2-ylmethyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is CCCn1c2ccccc2c2nnc(SCC(=O)NCc3ccco3)nc21.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The InChIKey is RUFFBEGUDNWJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-2-9-24-15-8-4-3-7-14(15)17-18(24)21-19(23-22-17)27-12-16(25)20-11-13-6-5-10-26-13/h3-8,10H,2,9,11-12H2,1H3,(H,20,25).
What are the key properties of N-(furan-2-ylmethyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide has a molecular weight of 381.46 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2894025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).