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

C17H18N8O — CID 56887885

IUPACN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCn1cnnc1CNc1cc(-c2ccncc2)nc2ccnn12
InChIInChI=1S/C17H18N8O/c1-26-9-8-24-12-20-23-17(24)11-19-16-10-14(13-2-5-18-6-3-13)22-15-4-7-21-25(15)16/h2-7,10,12,19H,8-9,11H2,1H3
InChIKeyWVVXESQYMXUNQN-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.64
Rot. Bonds7

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

N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56887885) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56887885
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCn1cnnc1CNc1cc(-c2ccncc2)nc2ccnn12
InChIInChI=1S/C17H18N8O/c1-26-9-8-24-12-20-23-17(24)11-19-16-10-14(13-2-5-18-6-3-13)22-15-4-7-21-25(15)16/h2-7,10,12,19H,8-9,11H2,1H3
InChIKeyWVVXESQYMXUNQN-UHFFFAOYSA-N
XLogP1.64
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56887885) is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is COCCn1cnnc1CNc1cc(-c2ccncc2)nc2ccnn12.
What is the InChIKey of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WVVXESQYMXUNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O/c1-26-9-8-24-12-20-23-17(24)11-19-16-10-14(13-2-5-18-6-3-13)22-15-4-7-21-25(15)16/h2-7,10,12,19H,8-9,11H2,1H3.
What are the key properties of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 350.39 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56887885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).