5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazol-4-amine

C14H18N4S — CID 170148109

IUPAC5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazol-4-amine
SMILESNc1n[nH]nc1-c1ccc(/C=C/C2CCCCC2)s1
InChIInChI=1S/C14H18N4S/c15-14-13(16-18-17-14)12-9-8-11(19-12)7-6-10-4-2-1-3-5-10/h6-10H,1-5H2,(H3,15,16,17,18)/b7-6+
InChIKeyKDVVKGQHPSKMPK-VOTSOKGWSA-N
MW274.39 g/mol
LogP3.71
Rot. Bonds3

About 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazol-4-amine

5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazol-4-amine (PubChem CID 170148109) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazol-4-amine.

Molecular Properties

Compound Name5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazol-4-amine
PubChem CID170148109
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazol-4-amine
SMILESNc1n[nH]nc1-c1ccc(/C=C/C2CCCCC2)s1
InChIInChI=1S/C14H18N4S/c15-14-13(16-18-17-14)12-9-8-11(19-12)7-6-10-4-2-1-3-5-10/h6-10H,1-5H2,(H3,15,16,17,18)/b7-6+
InChIKeyKDVVKGQHPSKMPK-VOTSOKGWSA-N
XLogP3.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazol-4-amine?
The IUPAC name of 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazol-4-amine (CID 170148109) is 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazol-4-amine.
What is the SMILES notation for 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazol-4-amine?
The canonical SMILES for 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazol-4-amine is Nc1n[nH]nc1-c1ccc(/C=C/C2CCCCC2)s1.
What is the InChIKey of 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazol-4-amine?
The InChIKey is KDVVKGQHPSKMPK-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H18N4S/c15-14-13(16-18-17-14)12-9-8-11(19-12)7-6-10-4-2-1-3-5-10/h6-10H,1-5H2,(H3,15,16,17,18)/b7-6+.
What are the key properties of 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazol-4-amine?
5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazol-4-amine has a molecular weight of 274.39 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazol-4-amine is sourced from PubChem (CID 170148109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).