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

C22H33N7 — CID 42618212

IUPACN-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCN(CC)c1nc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)c(C)nn12
InChIInChI=1S/C22H33N7/c1-9-11-12-28(10-2)22-25-17(6)24-21-20(16(5)26-29(21)22)19-14(3)13-18(27(7)8)23-15(19)4/h13H,9-12H2,1-8H3
InChIKeyPTXCVRZJGXONFE-UHFFFAOYSA-N
MW395.56 g/mol
LogP4.11
Rot. Bonds7

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

N-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618212) has the molecular formula C22H33N7 and a molecular weight of 395.56 g/mol. Its IUPAC name is N-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618212
Molecular FormulaC22H33N7
Molecular Weight395.56 g/mol
Exact Mass395.28
IUPAC NameN-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCN(CC)c1nc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)c(C)nn12
InChIInChI=1S/C22H33N7/c1-9-11-12-28(10-2)22-25-17(6)24-21-20(16(5)26-29(21)22)19-14(3)13-18(27(7)8)23-15(19)4/h13H,9-12H2,1-8H3
InChIKeyPTXCVRZJGXONFE-UHFFFAOYSA-N
XLogP4.11
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.56
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618212) is N-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCCCN(CC)c1nc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)c(C)nn12.
What is the InChIKey of N-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is PTXCVRZJGXONFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7/c1-9-11-12-28(10-2)22-25-17(6)24-21-20(16(5)26-29(21)22)19-14(3)13-18(27(7)8)23-15(19)4/h13H,9-12H2,1-8H3.
What are the key properties of N-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 395.56 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).