N-cyclopropyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;hydrochloride

C11H20ClN5OS — CID 154906198

IUPACN-cyclopropyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;hydrochloride
SMILESCNCc1nnc(SC(C)C(=O)NC2CC2)n1C.Cl
InChIInChI=1S/C11H19N5OS.ClH/c1-7(10(17)13-8-4-5-8)18-11-15-14-9(6-12-2)16(11)3;/h7-8,12H,4-6H2,1-3H3,(H,13,17);1H
InChIKeyHXGYPIQDSCHYJO-UHFFFAOYSA-N
MW305.84 g/mol
LogP0.72
Rot. Bonds6

About N-cyclopropyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;hydrochloride

N-cyclopropyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;hydrochloride (PubChem CID 154906198) has the molecular formula C11H20ClN5OS and a molecular weight of 305.84 g/mol. Its IUPAC name is N-cyclopropyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;hydrochloride
PubChem CID154906198
Molecular FormulaC11H20ClN5OS
Molecular Weight305.84 g/mol
Exact Mass305.11
IUPAC NameN-cyclopropyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;hydrochloride
SMILESCNCc1nnc(SC(C)C(=O)NC2CC2)n1C.Cl
InChIInChI=1S/C11H19N5OS.ClH/c1-7(10(17)13-8-4-5-8)18-11-15-14-9(6-12-2)16(11)3;/h7-8,12H,4-6H2,1-3H3,(H,13,17);1H
InChIKeyHXGYPIQDSCHYJO-UHFFFAOYSA-N
XLogP0.72
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.84
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;hydrochloride with MolForge

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Related Compounds

(2R)-N-ethyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 126426005
N-cyclopentyl-2-[[5-[(4-methoxyanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 3230536
ethyl 2-[5-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetate
CID 9387725
2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylpropanamide
CID 42977031
(2S)-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylpropanamide
CID 7170050
N-cycloheptyl-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 42894985
(2S)-N-cyclopropyl-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7416551
(2S)-N-cyclopropyl-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 9378100
(2S)-N-cyclohexyl-2-[[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 97063662
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylpropanamide
CID 63313317
4-chloro-N-[2-[5-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 17019400
(2S)-N-cyclopropyl-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7662399

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;hydrochloride?
The IUPAC name of N-cyclopropyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;hydrochloride (CID 154906198) is N-cyclopropyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;hydrochloride is CNCc1nnc(SC(C)C(=O)NC2CC2)n1C.Cl.
What is the InChIKey of N-cyclopropyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;hydrochloride?
The InChIKey is HXGYPIQDSCHYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS.ClH/c1-7(10(17)13-8-4-5-8)18-11-15-14-9(6-12-2)16(11)3;/h7-8,12H,4-6H2,1-3H3,(H,13,17);1H.
What are the key properties of N-cyclopropyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;hydrochloride?
N-cyclopropyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;hydrochloride has a molecular weight of 305.84 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[4-methyl-5-(methylaminomethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;hydrochloride is sourced from PubChem (CID 154906198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).