N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H19N7O — CID 167886592

IUPACN-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C)CCOc1cc(CNc2ccnc3ncnn23)ccn1
InChIInChI=1S/C15H19N7O/c1-21(2)7-8-23-14-9-12(3-5-16-14)10-18-13-4-6-17-15-19-11-20-22(13)15/h3-6,9,11,18H,7-8,10H2,1-2H3
InChIKeyYHQWDEALCXXMPS-UHFFFAOYSA-N
MW313.37 g/mol
LogP1.07
Rot. Bonds7

About N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 167886592) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID167886592
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC NameN-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C)CCOc1cc(CNc2ccnc3ncnn23)ccn1
InChIInChI=1S/C15H19N7O/c1-21(2)7-8-23-14-9-12(3-5-16-14)10-18-13-4-6-17-15-19-11-20-22(13)15/h3-6,9,11,18H,7-8,10H2,1-2H3
InChIKeyYHQWDEALCXXMPS-UHFFFAOYSA-N
XLogP1.07
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 167886592) is N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CN(C)CCOc1cc(CNc2ccnc3ncnn23)ccn1.
What is the InChIKey of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YHQWDEALCXXMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-21(2)7-8-23-14-9-12(3-5-16-14)10-18-13-4-6-17-15-19-11-20-22(13)15/h3-6,9,11,18H,7-8,10H2,1-2H3.
What are the key properties of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 313.37 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 167886592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).