N,4-dimethyl-5-(4-methylthiophen-3-yl)-1,2,4-triazol-3-amine

C9H12N4S — CID 112596310

IUPACN,4-dimethyl-5-(4-methylthiophen-3-yl)-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2cscc2C)n1C
InChIInChI=1S/C9H12N4S/c1-6-4-14-5-7(6)8-11-12-9(10-2)13(8)3/h4-5H,1-3H3,(H,10,12)
InChIKeyVKUGDFIJBJDUFY-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.89
Rot. Bonds2

About N,4-dimethyl-5-(4-methylthiophen-3-yl)-1,2,4-triazol-3-amine

N,4-dimethyl-5-(4-methylthiophen-3-yl)-1,2,4-triazol-3-amine (PubChem CID 112596310) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N,4-dimethyl-5-(4-methylthiophen-3-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(4-methylthiophen-3-yl)-1,2,4-triazol-3-amine
PubChem CID112596310
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN,4-dimethyl-5-(4-methylthiophen-3-yl)-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2cscc2C)n1C
InChIInChI=1S/C9H12N4S/c1-6-4-14-5-7(6)8-11-12-9(10-2)13(8)3/h4-5H,1-3H3,(H,10,12)
InChIKeyVKUGDFIJBJDUFY-UHFFFAOYSA-N
XLogP1.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine
CID 112596470
5-(3-chloro-4-methylthiophen-2-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 103400498
5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596565
5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596566
5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 106851433
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596389
5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596472
5-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]benzene-1,3-diamine
CID 107811849
5-(5-bromo-1,3-thiazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 164661841
5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 83882734
N,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine
CID 112596568
4-methoxy-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]phenol
CID 136926758

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(4-methylthiophen-3-yl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-dimethyl-5-(4-methylthiophen-3-yl)-1,2,4-triazol-3-amine (CID 112596310) is N,4-dimethyl-5-(4-methylthiophen-3-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-dimethyl-5-(4-methylthiophen-3-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-dimethyl-5-(4-methylthiophen-3-yl)-1,2,4-triazol-3-amine is CNc1nnc(-c2cscc2C)n1C.
What is the InChIKey of N,4-dimethyl-5-(4-methylthiophen-3-yl)-1,2,4-triazol-3-amine?
The InChIKey is VKUGDFIJBJDUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-6-4-14-5-7(6)8-11-12-9(10-2)13(8)3/h4-5H,1-3H3,(H,10,12).
What are the key properties of N,4-dimethyl-5-(4-methylthiophen-3-yl)-1,2,4-triazol-3-amine?
N,4-dimethyl-5-(4-methylthiophen-3-yl)-1,2,4-triazol-3-amine has a molecular weight of 208.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-(4-methylthiophen-3-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).