7-(1H-indol-3-yl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine

C19H15N5 — CID 135511909

IUPAC7-(1H-indol-3-yl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1ccc(C2CC(c3c[nH]c4ccccc34)=Nc3nncn32)cc1
InChIInChI=1S/C19H15N5/c1-2-6-13(7-3-1)18-10-17(22-19-23-21-12-24(18)19)15-11-20-16-9-5-4-8-14(15)16/h1-9,11-12,18,20H,10H2
InChIKeyINALAXFEBXPIHJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.87
Rot. Bonds2

About 7-(1H-indol-3-yl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine

7-(1H-indol-3-yl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 135511909) has the molecular formula C19H15N5 and a molecular weight of 313.36 g/mol. Its IUPAC name is 7-(1H-indol-3-yl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name7-(1H-indol-3-yl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID135511909
Molecular FormulaC19H15N5
Molecular Weight313.36 g/mol
Exact Mass313.13
IUPAC Name7-(1H-indol-3-yl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1ccc(C2CC(c3c[nH]c4ccccc34)=Nc3nncn32)cc1
InChIInChI=1S/C19H15N5/c1-2-6-13(7-3-1)18-10-17(22-19-23-21-12-24(18)19)15-11-20-16-9-5-4-8-14(15)16/h1-9,11-12,18,20H,10H2
InChIKeyINALAXFEBXPIHJ-UHFFFAOYSA-N
XLogP3.87
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(1H-indol-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 137279262
2-(1H-indol-3-yl)-3H-indole
CID 163416742
3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole
CID 137097331
2-(1H-indol-3-yl)aniline
CID 25210227
methane;3-phenyl-1H-indole
CID 167711687
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1H-indole
CID 21240625
3-(1-phenylpyrazol-3-yl)-1H-indole
CID 135907657
4-[4-(1H-indol-3-yl)-2,3-dihydro-1,5-benzoxazepin-2-yl]-N,N-dimethylaniline
CID 135447802
5-(1H-indol-3-yl)-4-phenyl-1,2,4-triazole-3-thiolate
CID 4963878
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
3-pyridin-4-yl-1H-indole
CID 159430533

Frequently Asked Questions

What is the IUPAC name of 7-(1H-indol-3-yl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 7-(1H-indol-3-yl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine (CID 135511909) is 7-(1H-indol-3-yl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 7-(1H-indol-3-yl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 7-(1H-indol-3-yl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine is c1ccc(C2CC(c3c[nH]c4ccccc34)=Nc3nncn32)cc1.
What is the InChIKey of 7-(1H-indol-3-yl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is INALAXFEBXPIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5/c1-2-6-13(7-3-1)18-10-17(22-19-23-21-12-24(18)19)15-11-20-16-9-5-4-8-14(15)16/h1-9,11-12,18,20H,10H2.
What are the key properties of 7-(1H-indol-3-yl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine?
7-(1H-indol-3-yl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 313.36 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indol-3-yl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 135511909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).