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

C20H29N7 — CID 42618216

IUPAC8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCC(CC)Nc1nc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C20H29N7/c1-8-15(9-2)24-20-23-14(5)22-19-18(13(4)25-27(19)20)16-11-21-17(26(6)7)10-12(16)3/h10-11,15H,8-9H2,1-7H3,(H,22,23,24)
InChIKeyLLQODZTYTMHLOD-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.78
Rot. Bonds6

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

8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618216) has the molecular formula C20H29N7 and a molecular weight of 367.50 g/mol. Its IUPAC name is 8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618216
Molecular FormulaC20H29N7
Molecular Weight367.50 g/mol
Exact Mass367.25
IUPAC Name8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCC(CC)Nc1nc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C20H29N7/c1-8-15(9-2)24-20-23-14(5)22-19-18(13(4)25-27(19)20)16-11-21-17(26(6)7)10-12(16)3/h10-11,15H,8-9H2,1-7H3,(H,22,23,24)
InChIKeyLLQODZTYTMHLOD-UHFFFAOYSA-N
XLogP3.78
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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CID 155570100

Frequently Asked Questions

What is the IUPAC name of 8-[6-(dimethylamino)-4-methyl-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)-4-methyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618216) is 8-[6-(dimethylamino)-4-methyl-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)-4-methyl-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)-4-methyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCC(CC)Nc1nc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12.
What is the InChIKey of 8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is LLQODZTYTMHLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7/c1-8-15(9-2)24-20-23-14(5)22-19-18(13(4)25-27(19)20)16-11-21-17(26(6)7)10-12(16)3/h10-11,15H,8-9H2,1-7H3,(H,22,23,24).
What are the key properties of 8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 367.50 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).