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

C15H20N4 — CID 81345280

IUPAC6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NC(C)c1nncn1C)CC2
InChIInChI=1S/C15H20N4/c1-10-4-5-12-6-7-14(13(12)8-10)17-11(2)15-18-16-9-19(15)3/h4-5,8-9,11,14,17H,6-7H2,1-3H3
InChIKeyORBAYPQNQUHBRD-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.46
Rot. Bonds3

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

6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 81345280) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID81345280
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NC(C)c1nncn1C)CC2
InChIInChI=1S/C15H20N4/c1-10-4-5-12-6-7-14(13(12)8-10)17-11(2)15-18-16-9-19(15)3/h4-5,8-9,11,14,17H,6-7H2,1-3H3
InChIKeyORBAYPQNQUHBRD-UHFFFAOYSA-N
XLogP2.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 81345280) is 6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is Cc1ccc2c(c1)C(NC(C)c1nncn1C)CC2.
What is the InChIKey of 6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ORBAYPQNQUHBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-4-5-12-6-7-14(13(12)8-10)17-11(2)15-18-16-9-19(15)3/h4-5,8-9,11,14,17H,6-7H2,1-3H3.
What are the key properties of 6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81345280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).