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

C15H21N7O — CID 56899168

IUPACN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCn1cnnc1CNc1cc(C)nc2c(C)c(C)nn12
InChIInChI=1S/C15H21N7O/c1-10-7-13(22-15(18-10)11(2)12(3)20-22)16-8-14-19-17-9-21(14)5-6-23-4/h7,9,16H,5-6,8H2,1-4H3
InChIKeyWPVNFSAPRLHRRH-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.50
Rot. Bonds6

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

N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56899168) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56899168
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCn1cnnc1CNc1cc(C)nc2c(C)c(C)nn12
InChIInChI=1S/C15H21N7O/c1-10-7-13(22-15(18-10)11(2)12(3)20-22)16-8-14-19-17-9-21(14)5-6-23-4/h7,9,16H,5-6,8H2,1-4H3
InChIKeyWPVNFSAPRLHRRH-UHFFFAOYSA-N
XLogP1.50
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56899168) is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine is COCCn1cnnc1CNc1cc(C)nc2c(C)c(C)nn12.
What is the InChIKey of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WPVNFSAPRLHRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-10-7-13(22-15(18-10)11(2)12(3)20-22)16-8-14-19-17-9-21(14)5-6-23-4/h7,9,16H,5-6,8H2,1-4H3.
What are the key properties of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 315.38 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56899168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).