N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C20H17N5 — CID 3227263

IUPACN-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2cc(Nc3ccc4c(c3)CCC4)n3ncnc3n2)cc1
InChIInChI=1S/C20H17N5/c1-2-5-15(6-3-1)18-12-19(25-20(24-18)21-13-22-25)23-17-10-9-14-7-4-8-16(14)11-17/h1-3,5-6,9-13,23H,4,7-8H2
InChIKeyBGMHYNDPKWJXHW-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.02
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3227263) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID3227263
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2cc(Nc3ccc4c(c3)CCC4)n3ncnc3n2)cc1
InChIInChI=1S/C20H17N5/c1-2-5-15(6-3-1)18-12-19(25-20(24-18)21-13-22-25)23-17-10-9-14-7-4-8-16(14)11-17/h1-3,5-6,9-13,23H,4,7-8H2
InChIKeyBGMHYNDPKWJXHW-UHFFFAOYSA-N
XLogP4.02
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.02
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-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 3227263) is N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is c1ccc(-c2cc(Nc3ccc4c(c3)CCC4)n3ncnc3n2)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BGMHYNDPKWJXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-2-5-15(6-3-1)18-12-19(25-20(24-18)21-13-22-25)23-17-10-9-14-7-4-8-16(14)11-17/h1-3,5-6,9-13,23H,4,7-8H2.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 327.39 g/mol, XLogP of 4.02, 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-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3227263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).