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

C21H31N7 — CID 42618207

IUPAC8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCC(CC)Nc1nc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)c(C)nn12
InChIInChI=1S/C21H31N7/c1-9-16(10-2)25-21-24-15(6)23-20-19(14(5)26-28(20)21)18-12(3)11-17(27(7)8)22-13(18)4/h11,16H,9-10H2,1-8H3,(H,23,24,25)
InChIKeyZGIOGLGWJKWDIM-UHFFFAOYSA-N
MW381.53 g/mol
LogP4.09
Rot. Bonds6

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

8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618207) has the molecular formula C21H31N7 and a molecular weight of 381.53 g/mol. Its IUPAC name is 8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618207
Molecular FormulaC21H31N7
Molecular Weight381.53 g/mol
Exact Mass381.26
IUPAC Name8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCC(CC)Nc1nc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)c(C)nn12
InChIInChI=1S/C21H31N7/c1-9-16(10-2)25-21-24-15(6)23-20-19(14(5)26-28(20)21)18-12(3)11-17(27(7)8)22-13(18)4/h11,16H,9-10H2,1-8H3,(H,23,24,25)
InChIKeyZGIOGLGWJKWDIM-UHFFFAOYSA-N
XLogP4.09
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618207) is 8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCC(CC)Nc1nc(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]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is ZGIOGLGWJKWDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7/c1-9-16(10-2)25-21-24-15(6)23-20-19(14(5)26-28(20)21)18-12(3)11-17(27(7)8)22-13(18)4/h11,16H,9-10H2,1-8H3,(H,23,24,25).
What are the key properties of 8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 381.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).