N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

C15H21N7 — CID 70710345

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCn1cnnc1CCNc1cc(C)nc2c(C)c(C)nn12
InChIInChI=1S/C15H21N7/c1-5-21-9-17-19-13(21)6-7-16-14-8-10(2)18-15-11(3)12(4)20-22(14)15/h8-9,16H,5-7H2,1-4H3
InChIKeyHNNOTZVOEJXMBW-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.92
Rot. Bonds5

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70710345) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70710345
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCn1cnnc1CCNc1cc(C)nc2c(C)c(C)nn12
InChIInChI=1S/C15H21N7/c1-5-21-9-17-19-13(21)6-7-16-14-8-10(2)18-15-11(3)12(4)20-22(14)15/h8-9,16H,5-7H2,1-4H3
InChIKeyHNNOTZVOEJXMBW-UHFFFAOYSA-N
XLogP1.92
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56913756
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70707398
2,3,5-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56917582
2,3,5-trimethyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70729875
2-(4-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 62692798
N-[2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-4-carboxamide
CID 56907672
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 50952376
4-[(1R)-1-hydroxy-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenol
CID 95868311
2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70708814
N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2044926
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
CID 50964025
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 106304559

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 70710345) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine is CCn1cnnc1CCNc1cc(C)nc2c(C)c(C)nn12.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HNNOTZVOEJXMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-5-21-9-17-19-13(21)6-7-16-14-8-10(2)18-15-11(3)12(4)20-22(14)15/h8-9,16H,5-7H2,1-4H3.
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 299.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70710345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).