5-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C13H15ClN4 — CID 118740675

IUPAC5-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCn1ncnc1CNC1CCc2cc(Cl)ccc21
InChIInChI=1S/C13H15ClN4/c1-18-13(16-8-17-18)7-15-12-5-2-9-6-10(14)3-4-11(9)12/h3-4,6,8,12,15H,2,5,7H2,1H3
InChIKeySAMZCMKVUBLSGZ-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.25
Rot. Bonds3

About 5-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine

5-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 118740675) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID118740675
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name5-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCn1ncnc1CNC1CCc2cc(Cl)ccc21
InChIInChI=1S/C13H15ClN4/c1-18-13(16-8-17-18)7-15-12-5-2-9-6-10(14)3-4-11(9)12/h3-4,6,8,12,15H,2,5,7H2,1H3
InChIKeySAMZCMKVUBLSGZ-UHFFFAOYSA-N
XLogP2.25
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 118740675) is 5-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is Cn1ncnc1CNC1CCc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SAMZCMKVUBLSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-18-13(16-8-17-18)7-15-12-5-2-9-6-10(14)3-4-11(9)12/h3-4,6,8,12,15H,2,5,7H2,1H3.
What are the key properties of 5-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 262.74 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 118740675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).