2-ethyl-5-methyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H21N5O3 — CID 22432248

IUPAC2-ethyl-5-methyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2nc(C)cc(Nc3cc(OC)c(OC)c(OC)c3)n2n1
InChIInChI=1S/C17H21N5O3/c1-6-14-20-17-18-10(2)7-15(22(17)21-14)19-11-8-12(23-3)16(25-5)13(9-11)24-4/h7-9,19H,6H2,1-5H3
InChIKeyUBKDWXLFPXOAAL-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.76
Rot. Bonds6

About 2-ethyl-5-methyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2-ethyl-5-methyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 22432248) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID22432248
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name2-ethyl-5-methyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2nc(C)cc(Nc3cc(OC)c(OC)c(OC)c3)n2n1
InChIInChI=1S/C17H21N5O3/c1-6-14-20-17-18-10(2)7-15(22(17)21-14)19-11-8-12(23-3)16(25-5)13(9-11)24-4/h7-9,19H,6H2,1-5H3
InChIKeyUBKDWXLFPXOAAL-UHFFFAOYSA-N
XLogP2.76
TPSA82.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22575555
2-ethyl-5-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22432588
2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608695
N-(4-ethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308128
N-(2,5-dimethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308295
5-methyl-2-(2-methylpropyl)-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53392536
N-(2-chloro-4-methylphenyl)-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22431687
1-(4,6-dimethyl-2-pyridinyl)-3-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 58976489
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)-3,4,5-trimethoxybenzamide
CID 50749068
6-methyl-2-N-pentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112925562
N-(4-bromophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46352593
N-(4-ethylphenyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961756

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-ethyl-5-methyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 22432248) is 2-ethyl-5-methyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-ethyl-5-methyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-ethyl-5-methyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1nc2nc(C)cc(Nc3cc(OC)c(OC)c(OC)c3)n2n1.
What is the InChIKey of 2-ethyl-5-methyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UBKDWXLFPXOAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-6-14-20-17-18-10(2)7-15(22(17)21-14)19-11-8-12(23-3)16(25-5)13(9-11)24-4/h7-9,19H,6H2,1-5H3.
What are the key properties of 2-ethyl-5-methyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2-ethyl-5-methyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 343.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 22432248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).