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

C19H27N7 — CID 42618214

IUPAC8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CC)c1nc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C19H27N7/c1-8-25(9-2)19-22-14(5)21-18-17(13(4)23-26(18)19)15-11-20-16(24(6)7)10-12(15)3/h10-11H,8-9H2,1-7H3
InChIKeyUBPQNFPZYQUOGL-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.02
Rot. Bonds5

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

8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618214) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is 8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618214
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC Name8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CC)c1nc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C19H27N7/c1-8-25(9-2)19-22-14(5)21-18-17(13(4)23-26(18)19)15-11-20-16(24(6)7)10-12(15)3/h10-11H,8-9H2,1-7H3
InChIKeyUBPQNFPZYQUOGL-UHFFFAOYSA-N
XLogP3.02
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N,N-diethyl-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-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618214) is 8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N,N-diethyl-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-diethyl-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-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCN(CC)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-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is UBPQNFPZYQUOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-8-25(9-2)19-22-14(5)21-18-17(13(4)23-26(18)19)15-11-20-16(24(6)7)10-12(15)3/h10-11H,8-9H2,1-7H3.
What are the key properties of 8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).