N-(4-ethylphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H19N5O — CID 50800239

IUPACN-(4-ethylphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1ccc(Nc2c(C)c(C)nc3nc(-c4ccco4)nn23)cc1
InChIInChI=1S/C19H19N5O/c1-4-14-7-9-15(10-8-14)21-18-12(2)13(3)20-19-22-17(23-24(18)19)16-6-5-11-25-16/h5-11,21H,4H2,1-3H3
InChIKeySFYHFXYKVDELAR-UHFFFAOYSA-N
MW333.40 g/mol
LogP4.31
Rot. Bonds4

About N-(4-ethylphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(4-ethylphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 50800239) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID50800239
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-(4-ethylphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1ccc(Nc2c(C)c(C)nc3nc(-c4ccco4)nn23)cc1
InChIInChI=1S/C19H19N5O/c1-4-14-7-9-15(10-8-14)21-18-12(2)13(3)20-19-22-17(23-24(18)19)16-6-5-11-25-16/h5-11,21H,4H2,1-3H3
InChIKeySFYHFXYKVDELAR-UHFFFAOYSA-N
XLogP4.31
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-ethylphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N-(4-ethylphenyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961756
2-(furan-2-yl)-5,6-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 50800291
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 50800334
N-(2,5-dimethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 50800345
N-[(2-chlorophenyl)methyl]-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 50800206
methyl 4-[[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzoate
CID 20961731
6-ethyl-2-(furan-2-yl)-5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50800220
7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-ethyl-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50800373
11-(furan-2-yl)-N-[(4-methylphenyl)methyl]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 50800649
N-(3-chlorophenyl)-2-(furan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 50800702
7-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50800419
N-(4-chlorophenyl)-6-ethyl-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433823

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(4-ethylphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 50800239) is N-(4-ethylphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(4-ethylphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(4-ethylphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1ccc(Nc2c(C)c(C)nc3nc(-c4ccco4)nn23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SFYHFXYKVDELAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-4-14-7-9-15(10-8-14)21-18-12(2)13(3)20-19-22-17(23-24(18)19)16-6-5-11-25-16/h5-11,21H,4H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(4-ethylphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 333.40 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 50800239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).