N-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine

C9H18N4S — CID 104604673

IUPACN-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine
SMILESCCCC(CSc1ncnn1C)NC
InChIInChI=1S/C9H18N4S/c1-4-5-8(10-2)6-14-9-11-7-12-13(9)3/h7-8,10H,4-6H2,1-3H3
InChIKeyAUPHODMYMUIGMH-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.30
Rot. Bonds6

About N-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine

N-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine (PubChem CID 104604673) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is N-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine
PubChem CID104604673
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC NameN-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine
SMILESCCCC(CSc1ncnn1C)NC
InChIInChI=1S/C9H18N4S/c1-4-5-8(10-2)6-14-9-11-7-12-13(9)3/h7-8,10H,4-6H2,1-3H3
InChIKeyAUPHODMYMUIGMH-UHFFFAOYSA-N
XLogP1.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,2-difluoroethylsulfanyl)-1-methyl-1,2,4-triazole
CID 131176601
N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanamine
CID 104604645
N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 104604682
1-(4-ethoxyphenyl)-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 104604579
5-(3-bromo-2-methylpropyl)sulfanyl-1-methyl-1,2,4-triazole
CID 104602649
1-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 104602645
1-(3,4-dimethoxyphenyl)-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 104604559
methyl 2-(methylamino)-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoate
CID 104603816
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine
CID 115677442
1-methoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
CID 107511553
5-(3,3-diethoxypropylsulfanyl)-1-methyl-1,2,4-triazole
CID 104603526
N-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
CID 64626307

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine?
The IUPAC name of N-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine (CID 104604673) is N-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine.
What is the SMILES notation for N-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine?
The canonical SMILES for N-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine is CCCC(CSc1ncnn1C)NC.
What is the InChIKey of N-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine?
The InChIKey is AUPHODMYMUIGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-4-5-8(10-2)6-14-9-11-7-12-13(9)3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine?
N-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine has a molecular weight of 214.34 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine is sourced from PubChem (CID 104604673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).