N-cyclopropyl-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

C15H15N5OS — CID 24792694

IUPACN-cyclopropyl-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
SMILESCn1c2ccccc2c2nnc(SCC(=O)NC3CC3)nc21
InChIInChI=1S/C15H15N5OS/c1-20-11-5-3-2-4-10(11)13-14(20)17-15(19-18-13)22-8-12(21)16-9-6-7-9/h2-5,9H,6-8H2,1H3,(H,16,21)
InChIKeyQIFSMAJDIDRGLE-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.89
Rot. Bonds4

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

N-cyclopropyl-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide (PubChem CID 24792694) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
PubChem CID24792694
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-cyclopropyl-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
SMILESCn1c2ccccc2c2nnc(SCC(=O)NC3CC3)nc21
InChIInChI=1S/C15H15N5OS/c1-20-11-5-3-2-4-10(11)13-14(20)17-15(19-18-13)22-8-12(21)16-9-6-7-9/h2-5,9H,6-8H2,1H3,(H,16,21)
InChIKeyQIFSMAJDIDRGLE-UHFFFAOYSA-N
XLogP1.89
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide (CID 24792694) is N-cyclopropyl-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is Cn1c2ccccc2c2nnc(SCC(=O)NC3CC3)nc21.
What is the InChIKey of N-cyclopropyl-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The InChIKey is QIFSMAJDIDRGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-20-11-5-3-2-4-10(11)13-14(20)17-15(19-18-13)22-8-12(21)16-9-6-7-9/h2-5,9H,6-8H2,1H3,(H,16,21).
What are the key properties of N-cyclopropyl-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
N-cyclopropyl-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide has a molecular weight of 313.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 24792694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).