(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine

C13H13N5 — CID 135558233

IUPAC(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine
SMILESCc1nnc(C)n1/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C13H13N5/c1-9-16-17-10(2)18(9)15-8-11-7-14-13-6-4-3-5-12(11)13/h3-8,14H,1-2H3/b15-8+
InChIKeyWXGSQEGFESXEQI-OVCLIPMQSA-N
MW239.28 g/mol
LogP2.26
Rot. Bonds2

About (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine

(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine (PubChem CID 135558233) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine.

Molecular Properties

Compound Name(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine
PubChem CID135558233
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine
SMILESCc1nnc(C)n1/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C13H13N5/c1-9-16-17-10(2)18(9)15-8-11-7-14-13-6-4-3-5-12(11)13/h3-8,14H,1-2H3/b15-8+
InChIKeyWXGSQEGFESXEQI-OVCLIPMQSA-N
XLogP2.26
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine
CID 2550408
3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine
CID 135676704
(E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine
CID 135675955
3-tert-butyl-4-[(E)-1H-indol-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
CID 135733387
5-[(E)-1H-indol-3-ylmethylideneamino]-3,6-dimethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 166625199
(E)-1-(1H-indol-3-yl)-N-(1,2,4-triazol-1-yl)methanimine
CID 135614731
3-(4-chlorophenyl)-4-[(E)-1H-indol-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
CID 135684599
3-(3-bromophenyl)-4-[(E)-1H-indol-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
CID 135729481
3-(3-ethoxyphenyl)-4-(1H-indol-3-ylmethylideneamino)-1H-1,2,4-triazole-5-thione
CID 3852870
3-[(E)-1H-indol-3-ylmethylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 135517049
N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine
CID 693741
N-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline
CID 135571922

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine?
The IUPAC name of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine (CID 135558233) is (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine.
What is the SMILES notation for (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine?
The canonical SMILES for (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine is Cc1nnc(C)n1/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine?
The InChIKey is WXGSQEGFESXEQI-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-16-17-10(2)18(9)15-8-11-7-14-13-6-4-3-5-12(11)13/h3-8,14H,1-2H3/b15-8+.
What are the key properties of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine?
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine has a molecular weight of 239.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine is sourced from PubChem (CID 135558233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).