N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C17H18N4 — CID 43203679

IUPACN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc2c(c1)CCC2NCCc1nnc2ccccn12
InChIInChI=1S/C17H18N4/c1-2-6-14-13(5-1)8-9-15(14)18-11-10-17-20-19-16-7-3-4-12-21(16)17/h1-7,12,15,18H,8-11H2
InChIKeyDUNJDYAAXQTXTO-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.55
Rot. Bonds4

About N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 43203679) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID43203679
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc2c(c1)CCC2NCCc1nnc2ccccn12
InChIInChI=1S/C17H18N4/c1-2-6-14-13(5-1)8-9-15(14)18-11-10-17-20-19-16-7-3-4-12-21(16)17/h1-7,12,15,18H,8-11H2
InChIKeyDUNJDYAAXQTXTO-UHFFFAOYSA-N
XLogP2.55
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 43203679) is N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is c1ccc2c(c1)CCC2NCCc1nnc2ccccn12.
What is the InChIKey of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DUNJDYAAXQTXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-6-14-13(5-1)8-9-15(14)18-11-10-17-20-19-16-7-3-4-12-21(16)17/h1-7,12,15,18H,8-11H2.
What are the key properties of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 278.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43203679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).