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

C9H12N4S — CID 167764433

IUPACN,N-dimethyl-5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-amine
SMILESCc1ccc(-c2nc(N(C)C)n[nH]2)s1
InChIInChI=1S/C9H12N4S/c1-6-4-5-7(14-6)8-10-9(12-11-8)13(2)3/h4-5H,1-3H3,(H,10,11,12)
InChIKeyWWYNNYRIUXPASE-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.91
Rot. Bonds2

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

N,N-dimethyl-5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 167764433) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N,N-dimethyl-5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-amine
PubChem CID167764433
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN,N-dimethyl-5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-amine
SMILESCc1ccc(-c2nc(N(C)C)n[nH]2)s1
InChIInChI=1S/C9H12N4S/c1-6-4-5-7(14-6)8-10-9(12-11-8)13(2)3/h4-5H,1-3H3,(H,10,11,12)
InChIKeyWWYNNYRIUXPASE-UHFFFAOYSA-N
XLogP1.91
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of N,N-dimethyl-5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-amine (CID 167764433) is N,N-dimethyl-5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-amine is Cc1ccc(-c2nc(N(C)C)n[nH]2)s1.
What is the InChIKey of N,N-dimethyl-5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is WWYNNYRIUXPASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-6-4-5-7(14-6)8-10-9(12-11-8)13(2)3/h4-5H,1-3H3,(H,10,11,12).
What are the key properties of N,N-dimethyl-5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-amine?
N,N-dimethyl-5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 208.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 167764433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).