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

C14H18N4 — CID 84588710

IUPAC6-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NCc1ncnn1C)CC2
InChIInChI=1S/C14H18N4/c1-10-3-4-11-5-6-13(12(11)7-10)15-8-14-16-9-17-18(14)2/h3-4,7,9,13,15H,5-6,8H2,1-2H3
InChIKeyUEXOSJIOBLGXPE-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.90
Rot. Bonds3

About 6-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine

6-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 84588710) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 6-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID84588710
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name6-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NCc1ncnn1C)CC2
InChIInChI=1S/C14H18N4/c1-10-3-4-11-5-6-13(12(11)7-10)15-8-14-16-9-17-18(14)2/h3-4,7,9,13,15H,5-6,8H2,1-2H3
InChIKeyUEXOSJIOBLGXPE-UHFFFAOYSA-N
XLogP1.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 84588710) is 6-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is Cc1ccc2c(c1)C(NCc1ncnn1C)CC2.
What is the InChIKey of 6-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UEXOSJIOBLGXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-3-4-11-5-6-13(12(11)7-10)15-8-14-16-9-17-18(14)2/h3-4,7,9,13,15H,5-6,8H2,1-2H3.
What are the key properties of 6-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
6-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 242.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 84588710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).