5-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide;hydrochloride

C9H14ClN7O2S — CID 154905824

IUPAC5-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide;hydrochloride
SMILESCNC(=O)c1noc(CSc2nnc(CN)n2C)n1.Cl
InChIInChI=1S/C9H13N7O2S.ClH/c1-11-8(17)7-12-6(18-15-7)4-19-9-14-13-5(3-10)16(9)2;/h3-4,10H2,1-2H3,(H,11,17);1H
InChIKeyLNPBEDZHYYFMKT-UHFFFAOYSA-N
MW319.78 g/mol
LogP-0.27
Rot. Bonds5

About 5-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide;hydrochloride

5-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide;hydrochloride (PubChem CID 154905824) has the molecular formula C9H14ClN7O2S and a molecular weight of 319.78 g/mol. Its IUPAC name is 5-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide;hydrochloride
PubChem CID154905824
Molecular FormulaC9H14ClN7O2S
Molecular Weight319.78 g/mol
Exact Mass319.06
IUPAC Name5-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide;hydrochloride
SMILESCNC(=O)c1noc(CSc2nnc(CN)n2C)n1.Cl
InChIInChI=1S/C9H13N7O2S.ClH/c1-11-8(17)7-12-6(18-15-7)4-19-9-14-13-5(3-10)16(9)2;/h3-4,10H2,1-2H3,(H,11,17);1H
InChIKeyLNPBEDZHYYFMKT-UHFFFAOYSA-N
XLogP-0.27
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.78
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide;hydrochloride with MolForge

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Related Compounds

5-[[5-(aminomethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 121494702
[4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 63315717
2-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 63315725
[4-methyl-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 154906563
[5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63313414
acetic acid;[4-methyl-5-[(2-methyl-1,3-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 154904613
[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315673
(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
CID 75480383
ethyl N-[2-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]carbamate
CID 63315551
methyl N-[2-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]carbamate
CID 63315242
[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 121496539
5-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-3-carboxamide
CID 125442309

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide;hydrochloride (CID 154905824) is 5-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide;hydrochloride is CNC(=O)c1noc(CSc2nnc(CN)n2C)n1.Cl.
What is the InChIKey of 5-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide;hydrochloride?
The InChIKey is LNPBEDZHYYFMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O2S.ClH/c1-11-8(17)7-12-6(18-15-7)4-19-9-14-13-5(3-10)16(9)2;/h3-4,10H2,1-2H3,(H,11,17);1H.
What are the key properties of 5-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide;hydrochloride?
5-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide;hydrochloride has a molecular weight of 319.78 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 154905824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).