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

C8H8N4S — CID 139075865

IUPAC(E)-1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine
SMILESCc1ccc(/C=N/c2ncn[nH]2)s1
InChIInChI=1S/C8H8N4S/c1-6-2-3-7(13-6)4-9-8-10-5-11-12-8/h2-5H,1H3,(H,10,11,12)/b9-4+
InChIKeySWQSTANRODQVDX-RUDMXATFSA-N
MW192.25 g/mol
LogP1.93
Rot. Bonds2

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

(E)-1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine (PubChem CID 139075865) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is (E)-1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine
PubChem CID139075865
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name(E)-1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine
SMILESCc1ccc(/C=N/c2ncn[nH]2)s1
InChIInChI=1S/C8H8N4S/c1-6-2-3-7(13-6)4-9-8-10-5-11-12-8/h2-5H,1H3,(H,10,11,12)/b9-4+
InChIKeySWQSTANRODQVDX-RUDMXATFSA-N
XLogP1.93
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
The IUPAC name of (E)-1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine (CID 139075865) is (E)-1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine.
What is the SMILES notation for (E)-1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
The canonical SMILES for (E)-1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine is Cc1ccc(/C=N/c2ncn[nH]2)s1.
What is the InChIKey of (E)-1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
The InChIKey is SWQSTANRODQVDX-RUDMXATFSA-N. The full InChI is InChI=1S/C8H8N4S/c1-6-2-3-7(13-6)4-9-8-10-5-11-12-8/h2-5H,1H3,(H,10,11,12)/b9-4+.
What are the key properties of (E)-1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
(E)-1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine has a molecular weight of 192.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine is sourced from PubChem (CID 139075865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).