5-methyl-6-(2-methylphenyl)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine;yttrium

C16H17N4Y- — CID 58988165

IUPAC5-methyl-6-(2-methylphenyl)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine;yttrium
SMILESC[CH-]Cc1c(-c2ccccc2C)c(C)nc2ncnn12.[Y]
InChIInChI=1S/C16H17N4.Y/c1-4-7-14-15(13-9-6-5-8-11(13)2)12(3)19-16-17-10-18-20(14)16;/h4-6,8-10H,7H2,1-3H3;/q-1;
InChIKeyFLOHZXPMHUVDIU-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.17
Rot. Bonds3

About 5-methyl-6-(2-methylphenyl)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine;yttrium

5-methyl-6-(2-methylphenyl)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine;yttrium (PubChem CID 58988165) has the molecular formula C16H17N4Y- and a molecular weight of 354.25 g/mol. Its IUPAC name is 5-methyl-6-(2-methylphenyl)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine;yttrium.

Molecular Properties

Compound Name5-methyl-6-(2-methylphenyl)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine;yttrium
PubChem CID58988165
Molecular FormulaC16H17N4Y-
Molecular Weight354.25 g/mol
Exact Mass354.05
IUPAC Name5-methyl-6-(2-methylphenyl)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine;yttrium
SMILESC[CH-]Cc1c(-c2ccccc2C)c(C)nc2ncnn12.[Y]
InChIInChI=1S/C16H17N4.Y/c1-4-7-14-15(13-9-6-5-8-11(13)2)12(3)19-16-17-10-18-20(14)16;/h4-6,8-10H,7H2,1-3H3;/q-1;
InChIKeyFLOHZXPMHUVDIU-UHFFFAOYSA-N
XLogP3.17
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

5-methyl-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 58994009
6-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17190662
3-methyl-4-[5-methyl-7-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzonitrile
CID 69408588
5,7-dimethyl-6-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 58896608
7-butyl-5-chloro-6-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 19361628
5,6-dimethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133414992
N,N,5-trimethyl-6-(2,3,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 54419205
6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17190652
5-methyl-6-propan-2-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 167337186
5-methyl-N-phenyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433942
5-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 39771868
N,5,6-trimethyl-N-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133423320

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(2-methylphenyl)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine;yttrium?
The IUPAC name of 5-methyl-6-(2-methylphenyl)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine;yttrium (CID 58988165) is 5-methyl-6-(2-methylphenyl)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine;yttrium.
What is the SMILES notation for 5-methyl-6-(2-methylphenyl)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine;yttrium?
The canonical SMILES for 5-methyl-6-(2-methylphenyl)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine;yttrium is C[CH-]Cc1c(-c2ccccc2C)c(C)nc2ncnn12.[Y].
What is the InChIKey of 5-methyl-6-(2-methylphenyl)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine;yttrium?
The InChIKey is FLOHZXPMHUVDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N4.Y/c1-4-7-14-15(13-9-6-5-8-11(13)2)12(3)19-16-17-10-18-20(14)16;/h4-6,8-10H,7H2,1-3H3;/q-1;.
What are the key properties of 5-methyl-6-(2-methylphenyl)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine;yttrium?
5-methyl-6-(2-methylphenyl)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine;yttrium has a molecular weight of 354.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(2-methylphenyl)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidine;yttrium is sourced from PubChem (CID 58988165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).