1-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine

C8H8N4S — CID 668418

IUPAC1-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCc1ccc(C=Nn2cnnc2)s1
InChIInChI=1S/C8H8N4S/c1-7-2-3-8(13-7)4-11-12-5-9-10-6-12/h2-6H,1H3
InChIKeyIABVMUQULUPMPA-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.53
Rot. Bonds2

About 1-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine

1-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 668418) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID668418
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name1-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCc1ccc(C=Nn2cnnc2)s1
InChIInChI=1S/C8H8N4S/c1-7-2-3-8(13-7)4-11-12-5-9-10-6-12/h2-6H,1H3
InChIKeyIABVMUQULUPMPA-UHFFFAOYSA-N
XLogP1.53
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(5-methylthiophen-2-yl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6858292
4-(2-Thenylideneamino)-4H,1,2,4-triazole
CID 6858577
N-[(E)-(5-bromothiophen-2-yl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6858624
N-[(E)-(3-methylthiophen-2-yl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6858625
(3,5-Dimethyl-[1,2,4]triazol-4-yl)-(5-methyl-thiophen-2-ylmethylene)-amine
CID 9555054
1-(2-thienyl)-N-(1,2,4-triazol-1-yl)methanimine
CID 9575347
(E)-[(2-thienyl)methylene]-4H-1,2,4-triazol-3-ylamine
CID 41434471
3-(ethylsulfanyl)-N-[(E)-thiophen-2-ylmethylidene]-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-amine
CID 6877298
1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine
CID 90911291
(E)-1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine
CID 139075865
(e)-(4-(thiophen-2-yl)phenyl)-N-(4 h-1,2,4-triazol-4-yl)methanimine
CID 176515678
1-thiophen-2-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 484487

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine (CID 668418) is 1-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is Cc1ccc(C=Nn2cnnc2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is IABVMUQULUPMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-7-2-3-8(13-7)4-11-12-5-9-10-6-12/h2-6H,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
1-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 192.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 668418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).