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

C21H31N7O2 — CID 42618215

IUPAC8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C21H31N7O2/c1-14-12-18(26(4)5)22-13-17(14)19-15(2)25-28-20(19)23-16(3)24-21(28)27(8-10-29-6)9-11-30-7/h12-13H,8-11H2,1-7H3
InChIKeyNVOQVQISWCSFPZ-UHFFFAOYSA-N
MW413.53 g/mol
LogP2.28
Rot. Bonds9

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

8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618215) has the molecular formula C21H31N7O2 and a molecular weight of 413.53 g/mol. Its IUPAC name is 8-[6-(dimethylamino)-4-methyl-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)-4-methyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618215
Molecular FormulaC21H31N7O2
Molecular Weight413.53 g/mol
Exact Mass413.25
IUPAC Name8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C21H31N7O2/c1-14-12-18(26(4)5)22-13-17(14)19-15(2)25-28-20(19)23-16(3)24-21(28)27(8-10-29-6)9-11-30-7/h12-13H,8-11H2,1-7H3
InChIKeyNVOQVQISWCSFPZ-UHFFFAOYSA-N
XLogP2.28
TPSA80.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(dimethylamino)-4-methyl-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)-4-methyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618215) is 8-[6-(dimethylamino)-4-methyl-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)-4-methyl-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)-4-methyl-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(-c3cnc(N(C)C)cc3C)c(C)nn12.
What is the InChIKey of 8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is NVOQVQISWCSFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7O2/c1-14-12-18(26(4)5)22-13-17(14)19-15(2)25-28-20(19)23-16(3)24-21(28)27(8-10-29-6)9-11-30-7/h12-13H,8-11H2,1-7H3.
What are the key properties of 8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 413.53 g/mol, XLogP of 2.28, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).