8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(2S)-pentan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

C19H26N6O — CID 42618222

IUPAC8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(2S)-pentan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCC[C@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12
InChIInChI=1S/C19H26N6O/c1-7-8-11(2)20-19-23-14(5)22-18-17(13(4)24-25(18)19)15-9-10-16(26-6)21-12(15)3/h9-11H,7-8H2,1-6H3,(H,20,22,23)/t11-/m0/s1
InChIKeyMDAUINVHTWWWPZ-NSHDSACASA-N
MW354.46 g/mol
LogP3.72
Rot. Bonds6

About 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(2S)-pentan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(2S)-pentan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618222) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(2S)-pentan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(2S)-pentan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618222
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(2S)-pentan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCC[C@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12
InChIInChI=1S/C19H26N6O/c1-7-8-11(2)20-19-23-14(5)22-18-17(13(4)24-25(18)19)15-9-10-16(26-6)21-12(15)3/h9-11H,7-8H2,1-6H3,(H,20,22,23)/t11-/m0/s1
InChIKeyMDAUINVHTWWWPZ-NSHDSACASA-N
XLogP3.72
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(2S)-pentan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(2S)-pentan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618222) is 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(2S)-pentan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(2S)-pentan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(2S)-pentan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is CCC[C@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12.
What is the InChIKey of 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(2S)-pentan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is MDAUINVHTWWWPZ-NSHDSACASA-N. The full InChI is InChI=1S/C19H26N6O/c1-7-8-11(2)20-19-23-14(5)22-18-17(13(4)24-25(18)19)15-9-10-16(26-6)21-12(15)3/h9-11H,7-8H2,1-6H3,(H,20,22,23)/t11-/m0/s1.
What are the key properties of 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(2S)-pentan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(2S)-pentan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 354.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(2S)-pentan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).