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

C11H9N5 — CID 135614731

IUPAC(E)-1-(1H-indol-3-yl)-N-(1,2,4-triazol-1-yl)methanimine
SMILESC(=N/n1cncn1)\c1c[nH]c2ccccc12
InChIInChI=1S/C11H9N5/c1-2-4-11-10(3-1)9(5-13-11)6-14-16-8-12-7-15-16/h1-8,13H/b14-6+
InChIKeyZLUXXYHIJPELTH-MKMNVTDBSA-N
MW211.23 g/mol
LogP1.64
Rot. Bonds2

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

(E)-1-(1H-indol-3-yl)-N-(1,2,4-triazol-1-yl)methanimine (PubChem CID 135614731) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is (E)-1-(1H-indol-3-yl)-N-(1,2,4-triazol-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(1H-indol-3-yl)-N-(1,2,4-triazol-1-yl)methanimine
PubChem CID135614731
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name(E)-1-(1H-indol-3-yl)-N-(1,2,4-triazol-1-yl)methanimine
SMILESC(=N/n1cncn1)\c1c[nH]c2ccccc12
InChIInChI=1S/C11H9N5/c1-2-4-11-10(3-1)9(5-13-11)6-14-16-8-12-7-15-16/h1-8,13H/b14-6+
InChIKeyZLUXXYHIJPELTH-MKMNVTDBSA-N
XLogP1.64
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1-(1H-indol-3-yl)-N-(1,2,4-triazol-1-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine
CID 135558233
(E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine
CID 135675955
2-[[4-(1H-indol-3-ylmethylideneamino)-1,2,4-triazol-3-yl]sulfanyl]ethanol
CID 651728
(15S,19S)-17-[(Z)-1H-indol-3-ylmethylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 137126786
(15R,19R)-17-[(Z)-1H-indol-3-ylmethylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 137126785
1-[(E)-1H-indol-3-ylmethylideneamino]-2-pyridin-4-yl-4H-imidazole-5-thione
CID 172967067
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
3-tert-butyl-4-[(E)-1H-indol-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
CID 135733387
N-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline
CID 135571922
1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine
CID 177388523
3-(2-pyridin-2-ylethenyl)-1H-indole
CID 67252498
3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine
CID 135676704

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1H-indol-3-yl)-N-(1,2,4-triazol-1-yl)methanimine?
The IUPAC name of (E)-1-(1H-indol-3-yl)-N-(1,2,4-triazol-1-yl)methanimine (CID 135614731) is (E)-1-(1H-indol-3-yl)-N-(1,2,4-triazol-1-yl)methanimine.
What is the SMILES notation for (E)-1-(1H-indol-3-yl)-N-(1,2,4-triazol-1-yl)methanimine?
The canonical SMILES for (E)-1-(1H-indol-3-yl)-N-(1,2,4-triazol-1-yl)methanimine is C(=N/n1cncn1)\c1c[nH]c2ccccc12.
What is the InChIKey of (E)-1-(1H-indol-3-yl)-N-(1,2,4-triazol-1-yl)methanimine?
The InChIKey is ZLUXXYHIJPELTH-MKMNVTDBSA-N. The full InChI is InChI=1S/C11H9N5/c1-2-4-11-10(3-1)9(5-13-11)6-14-16-8-12-7-15-16/h1-8,13H/b14-6+.
What are the key properties of (E)-1-(1H-indol-3-yl)-N-(1,2,4-triazol-1-yl)methanimine?
(E)-1-(1H-indol-3-yl)-N-(1,2,4-triazol-1-yl)methanimine has a molecular weight of 211.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1H-indol-3-yl)-N-(1,2,4-triazol-1-yl)methanimine is sourced from PubChem (CID 135614731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).