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

C14H19N7O — CID 56915495

IUPACN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCn1cnnc1CCNc1cc(C)nc2ccnn12
InChIInChI=1S/C14H19N7O/c1-11-9-14(21-12(18-11)4-6-17-21)15-5-3-13-19-16-10-20(13)7-8-22-2/h4,6,9-10,15H,3,5,7-8H2,1-2H3
InChIKeyUAUHHNIKUNVYFM-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.93
Rot. Bonds7

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

N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56915495) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56915495
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCn1cnnc1CCNc1cc(C)nc2ccnn12
InChIInChI=1S/C14H19N7O/c1-11-9-14(21-12(18-11)4-6-17-21)15-5-3-13-19-16-10-20(13)7-8-22-2/h4,6,9-10,15H,3,5,7-8H2,1-2H3
InChIKeyUAUHHNIKUNVYFM-UHFFFAOYSA-N
XLogP0.93
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56915495) is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is COCCn1cnnc1CCNc1cc(C)nc2ccnn12.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UAUHHNIKUNVYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O/c1-11-9-14(21-12(18-11)4-6-17-21)15-5-3-13-19-16-10-20(13)7-8-22-2/h4,6,9-10,15H,3,5,7-8H2,1-2H3.
What are the key properties of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 301.35 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56915495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).