N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine

C16H15N5 — CID 61167320

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESc1ccc2c(c1)CCC2Nc1cccnc1-n1cncn1
InChIInChI=1S/C16H15N5/c1-2-5-13-12(4-1)7-8-14(13)20-15-6-3-9-18-16(15)21-11-17-10-19-21/h1-6,9-11,14,20H,7-8H2
InChIKeyLSSJIUWBIQUCIM-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.76
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine

N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 61167320) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID61167320
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESc1ccc2c(c1)CCC2Nc1cccnc1-n1cncn1
InChIInChI=1S/C16H15N5/c1-2-5-13-12(4-1)7-8-14(13)20-15-6-3-9-18-16(15)21-11-17-10-19-21/h1-6,9-11,14,20H,7-8H2
InChIKeyLSSJIUWBIQUCIM-UHFFFAOYSA-N
XLogP2.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 61167320) is N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine is c1ccc2c(c1)CCC2Nc1cccnc1-n1cncn1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is LSSJIUWBIQUCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-2-5-13-12(4-1)7-8-14(13)20-15-6-3-9-18-16(15)21-11-17-10-19-21/h1-6,9-11,14,20H,7-8H2.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 277.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 61167320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).