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

C11H16N4S — CID 112596811

IUPACN,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2ccc(C)s2)n1CC
InChIInChI=1S/C11H16N4S/c1-4-12-11-14-13-10(15(11)5-2)9-7-6-8(3)16-9/h6-7H,4-5H2,1-3H3,(H,12,14)
InChIKeyPHBPTVDFVAZBCD-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.77
Rot. Bonds4

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

N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine (PubChem CID 112596811) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine
PubChem CID112596811
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2ccc(C)s2)n1CC
InChIInChI=1S/C11H16N4S/c1-4-12-11-14-13-10(15(11)5-2)9-7-6-8(3)16-9/h6-7H,4-5H2,1-3H3,(H,12,14)
InChIKeyPHBPTVDFVAZBCD-UHFFFAOYSA-N
XLogP2.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596641
N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine
CID 115945502
5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 106860889
5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-2-methylphenol
CID 112596621
N,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine
CID 112596797
N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine
CID 112596836
5-(3-bromo-2-pyridinyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 107517319
N,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine
CID 112596888
5-(1,5-dimethylpyrazol-4-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596670
5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597554
5-(2-amino-5-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597483
5-(2-amino-4-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597577

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine (CID 112596811) is N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine is CCNc1nnc(-c2ccc(C)s2)n1CC.
What is the InChIKey of N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine?
The InChIKey is PHBPTVDFVAZBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-4-12-11-14-13-10(15(11)5-2)9-7-6-8(3)16-9/h6-7H,4-5H2,1-3H3,(H,12,14).
What are the key properties of N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine?
N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine has a molecular weight of 236.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).