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

C23H35N7 — CID 42618213

IUPACN-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)c(C)nn12
InChIInChI=1S/C23H35N7/c1-9-11-13-29(12-10-2)23-26-18(6)25-22-21(17(5)27-30(22)23)20-15(3)14-19(28(7)8)24-16(20)4/h14H,9-13H2,1-8H3
InChIKeyHYEMZIURYDEUQG-UHFFFAOYSA-N
MW409.58 g/mol
LogP4.50
Rot. Bonds8

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

N-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618213) has the molecular formula C23H35N7 and a molecular weight of 409.58 g/mol. Its IUPAC name is N-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618213
Molecular FormulaC23H35N7
Molecular Weight409.58 g/mol
Exact Mass409.30
IUPAC NameN-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)c(C)nn12
InChIInChI=1S/C23H35N7/c1-9-11-13-29(12-10-2)23-26-18(6)25-22-21(17(5)27-30(22)23)20-15(3)14-19(28(7)8)24-16(20)4/h14H,9-13H2,1-8H3
InChIKeyHYEMZIURYDEUQG-UHFFFAOYSA-N
XLogP4.50
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 54.50
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]-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618213) is N-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-propylpyrazolo[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]-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCCCN(CCC)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]-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is HYEMZIURYDEUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N7/c1-9-11-13-29(12-10-2)23-26-18(6)25-22-21(17(5)27-30(22)23)20-15(3)14-19(28(7)8)24-16(20)4/h14H,9-13H2,1-8H3.
What are the key properties of N-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-butyl-8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 409.58 g/mol, XLogP of 4.50, 8 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]-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).