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

C20H28N6O — CID 42618224

IUPACN-hexan-2-yl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCC(C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12
InChIInChI=1S/C20H28N6O/c1-7-8-9-12(2)21-20-24-15(5)23-19-18(14(4)25-26(19)20)16-10-11-17(27-6)22-13(16)3/h10-12H,7-9H2,1-6H3,(H,21,23,24)
InChIKeyLGSABXJREJOSNF-UHFFFAOYSA-N
MW368.49 g/mol
LogP4.11
Rot. Bonds7

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

N-hexan-2-yl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618224) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-hexan-2-yl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-hexan-2-yl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618224
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-hexan-2-yl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCC(C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12
InChIInChI=1S/C20H28N6O/c1-7-8-9-12(2)21-20-24-15(5)23-19-18(14(4)25-26(19)20)16-10-11-17(27-6)22-13(16)3/h10-12H,7-9H2,1-6H3,(H,21,23,24)
InChIKeyLGSABXJREJOSNF-UHFFFAOYSA-N
XLogP4.11
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-hexan-2-yl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618224) is N-hexan-2-yl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-hexan-2-yl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-hexan-2-yl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCCCC(C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12.
What is the InChIKey of N-hexan-2-yl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is LGSABXJREJOSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-7-8-9-12(2)21-20-24-15(5)23-19-18(14(4)25-26(19)20)16-10-11-17(27-6)22-13(16)3/h10-12H,7-9H2,1-6H3,(H,21,23,24).
What are the key properties of N-hexan-2-yl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-hexan-2-yl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 368.49 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).