N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine

C15H17N5 — CID 2550408

IUPACN-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine
SMILESCCc1cccc2c(C=Nn3c(C)nnc3C)c[nH]c12
InChIInChI=1S/C15H17N5/c1-4-12-6-5-7-14-13(8-16-15(12)14)9-17-20-10(2)18-19-11(20)3/h5-9,16H,4H2,1-3H3
InChIKeyUGCFIXDNKLANHU-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.82
Rot. Bonds3

About N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine

N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine (PubChem CID 2550408) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine
PubChem CID2550408
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine
SMILESCCc1cccc2c(C=Nn3c(C)nnc3C)c[nH]c12
InChIInChI=1S/C15H17N5/c1-4-12-6-5-7-14-13(8-16-15(12)14)9-17-20-10(2)18-19-11(20)3/h5-9,16H,4H2,1-3H3
InChIKeyUGCFIXDNKLANHU-UHFFFAOYSA-N
XLogP2.82
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.82
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 N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine?
The IUPAC name of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine (CID 2550408) is N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine.
What is the SMILES notation for N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine?
The canonical SMILES for N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine is CCc1cccc2c(C=Nn3c(C)nnc3C)c[nH]c12.
What is the InChIKey of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine?
The InChIKey is UGCFIXDNKLANHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-4-12-6-5-7-14-13(8-16-15(12)14)9-17-20-10(2)18-19-11(20)3/h5-9,16H,4H2,1-3H3.
What are the key properties of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine?
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine has a molecular weight of 267.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine is sourced from PubChem (CID 2550408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).