N,N-diethyl-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine

C18H25N5S — CID 3159332

IUPACN,N-diethyl-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine
SMILESCCCn1c2ccccc2c2nnc(SCCN(CC)CC)nc21
InChIInChI=1S/C18H25N5S/c1-4-11-23-15-10-8-7-9-14(15)16-17(23)19-18(21-20-16)24-13-12-22(5-2)6-3/h7-10H,4-6,11-13H2,1-3H3
InChIKeyYAAXZACAFZHLCZ-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.82
Rot. Bonds8

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

N,N-diethyl-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine (PubChem CID 3159332) has the molecular formula C18H25N5S and a molecular weight of 343.50 g/mol. Its IUPAC name is N,N-diethyl-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine
PubChem CID3159332
Molecular FormulaC18H25N5S
Molecular Weight343.50 g/mol
Exact Mass343.18
IUPAC NameN,N-diethyl-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine
SMILESCCCn1c2ccccc2c2nnc(SCCN(CC)CC)nc21
InChIInChI=1S/C18H25N5S/c1-4-11-23-15-10-8-7-9-14(15)16-17(23)19-18(21-20-16)24-13-12-22(5-2)6-3/h7-10H,4-6,11-13H2,1-3H3
InChIKeyYAAXZACAFZHLCZ-UHFFFAOYSA-N
XLogP3.82
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine?
The IUPAC name of N,N-diethyl-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine (CID 3159332) is N,N-diethyl-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine is CCCn1c2ccccc2c2nnc(SCCN(CC)CC)nc21.
What is the InChIKey of N,N-diethyl-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine?
The InChIKey is YAAXZACAFZHLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5S/c1-4-11-23-15-10-8-7-9-14(15)16-17(23)19-18(21-20-16)24-13-12-22(5-2)6-3/h7-10H,4-6,11-13H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine?
N,N-diethyl-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine has a molecular weight of 343.50 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine is sourced from PubChem (CID 3159332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).