8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C22H33N7O2 — CID 42618209

IUPAC8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)c(C)nn12
InChIInChI=1S/C22H33N7O2/c1-14-13-18(27(5)6)23-15(2)19(14)20-16(3)26-29-21(20)24-17(4)25-22(29)28(9-11-30-7)10-12-31-8/h13H,9-12H2,1-8H3
InChIKeyYAPODPFTTIJBTD-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.59
Rot. Bonds9

About 8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618209) has the molecular formula C22H33N7O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618209
Molecular FormulaC22H33N7O2
Molecular Weight427.55 g/mol
Exact Mass427.27
IUPAC Name8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)c(C)nn12
InChIInChI=1S/C22H33N7O2/c1-14-13-18(27(5)6)23-15(2)19(14)20-16(3)26-29-21(20)24-17(4)25-22(29)28(9-11-30-7)10-12-31-8/h13H,9-12H2,1-8H3
InChIKeyYAPODPFTTIJBTD-UHFFFAOYSA-N
XLogP2.59
TPSA80.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618209) is 8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is COCCN(CCOC)c1nc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)c(C)nn12.
What is the InChIKey of 8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is YAPODPFTTIJBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7O2/c1-14-13-18(27(5)6)23-15(2)19(14)20-16(3)26-29-21(20)24-17(4)25-22(29)28(9-11-30-7)10-12-31-8/h13H,9-12H2,1-8H3.
What are the key properties of 8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 427.55 g/mol, XLogP of 2.59, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).