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

C19H26N6O — CID 42618233

IUPACN-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCN(C)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12
InChIInChI=1S/C19H26N6O/c1-7-8-11-24(5)19-22-14(4)21-18-17(13(3)23-25(18)19)15-9-10-16(26-6)20-12(15)2/h9-10H,7-8,11H2,1-6H3
InChIKeyZABHSAVWAYGPIN-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.36
Rot. Bonds6

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

N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618233) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618233
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCN(C)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12
InChIInChI=1S/C19H26N6O/c1-7-8-11-24(5)19-22-14(4)21-18-17(13(3)23-25(18)19)15-9-10-16(26-6)20-12(15)2/h9-10H,7-8,11H2,1-6H3
InChIKeyZABHSAVWAYGPIN-UHFFFAOYSA-N
XLogP3.36
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.36
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-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618233) is N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCCCN(C)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12.
What is the InChIKey of N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is ZABHSAVWAYGPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-7-8-11-24(5)19-22-14(4)21-18-17(13(3)23-25(18)19)15-9-10-16(26-6)20-12(15)2/h9-10H,7-8,11H2,1-6H3.
What are the key properties of N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 354.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).