(Z)-1-(1,2-dimethylindol-3-yl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine

C17H21N5S — CID 110522086

IUPAC(Z)-1-(1,2-dimethylindol-3-yl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine
SMILESCSc1nnc(C(C)C)n1/N=C\c1c(C)n(C)c2ccccc12
InChIInChI=1S/C17H21N5S/c1-11(2)16-19-20-17(23-5)22(16)18-10-14-12(3)21(4)15-9-7-6-8-13(14)15/h6-11H,1-5H3/b18-10-
InChIKeyXEELQYSBLVGATD-ZDLGFXPLSA-N
MW327.46 g/mol
LogP3.81
Rot. Bonds4

About (Z)-1-(1,2-dimethylindol-3-yl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine

(Z)-1-(1,2-dimethylindol-3-yl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine (PubChem CID 110522086) has the molecular formula C17H21N5S and a molecular weight of 327.46 g/mol. Its IUPAC name is (Z)-1-(1,2-dimethylindol-3-yl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(1,2-dimethylindol-3-yl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine
PubChem CID110522086
Molecular FormulaC17H21N5S
Molecular Weight327.46 g/mol
Exact Mass327.15
IUPAC Name(Z)-1-(1,2-dimethylindol-3-yl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine
SMILESCSc1nnc(C(C)C)n1/N=C\c1c(C)n(C)c2ccccc12
InChIInChI=1S/C17H21N5S/c1-11(2)16-19-20-17(23-5)22(16)18-10-14-12(3)21(4)15-9-7-6-8-13(14)15/h6-11H,1-5H3/b18-10-
InChIKeyXEELQYSBLVGATD-ZDLGFXPLSA-N
XLogP3.81
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(3-benzyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-1-(1,2-dimethylindol-3-yl)methanimine
CID 110522262
(Z)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)-1-pyridin-2-ylmethanimine
CID 110522095
(Z)-1-(4-fluorophenyl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine
CID 110522097
4-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 110520382
N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(2-methylphenyl)methanimine
CID 4712834
4-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 110508073
(Z)-1-(3,5-dichloro-2,4-dimethoxyphenyl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine
CID 110522034
(Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine
CID 110521914
2-(1-benzofuran-2-yl)-3-[(1,2-dimethylindol-3-yl)methylideneamino]quinazolin-4-one
CID 126291766
(1S,2R,6S,7R,8S,10S)-4-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98157557
(1S,2R,6R,7S,8S,10R)-4-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124763362
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline
CID 110509075

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1,2-dimethylindol-3-yl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-(1,2-dimethylindol-3-yl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine (CID 110522086) is (Z)-1-(1,2-dimethylindol-3-yl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-(1,2-dimethylindol-3-yl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-(1,2-dimethylindol-3-yl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine is CSc1nnc(C(C)C)n1/N=C\c1c(C)n(C)c2ccccc12.
What is the InChIKey of (Z)-1-(1,2-dimethylindol-3-yl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine?
The InChIKey is XEELQYSBLVGATD-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H21N5S/c1-11(2)16-19-20-17(23-5)22(16)18-10-14-12(3)21(4)15-9-7-6-8-13(14)15/h6-11H,1-5H3/b18-10-.
What are the key properties of (Z)-1-(1,2-dimethylindol-3-yl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine?
(Z)-1-(1,2-dimethylindol-3-yl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine has a molecular weight of 327.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1,2-dimethylindol-3-yl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 110522086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).