8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine

C22H30N6O2 — CID 78161990

IUPAC8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)Oc1ccccc1CNc1nc(OC2CCNC2)nc2c(C(C)C)cnn12
InChIInChI=1S/C22H30N6O2/c1-14(2)18-13-25-28-20(18)26-22(30-17-9-10-23-12-17)27-21(28)24-11-16-7-5-6-8-19(16)29-15(3)4/h5-8,13-15,17,23H,9-12H2,1-4H3,(H,24,26,27)
InChIKeyRPKHPFZIFGBGIF-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.39
Rot. Bonds8

About 8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine

8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 78161990) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID78161990
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)Oc1ccccc1CNc1nc(OC2CCNC2)nc2c(C(C)C)cnn12
InChIInChI=1S/C22H30N6O2/c1-14(2)18-13-25-28-20(18)26-22(30-17-9-10-23-12-17)27-21(28)24-11-16-7-5-6-8-19(16)29-15(3)4/h5-8,13-15,17,23H,9-12H2,1-4H3,(H,24,26,27)
InChIKeyRPKHPFZIFGBGIF-UHFFFAOYSA-N
XLogP3.39
TPSA85.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 78161990) is 8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)Oc1ccccc1CNc1nc(OC2CCNC2)nc2c(C(C)C)cnn12.
What is the InChIKey of 8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is RPKHPFZIFGBGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-14(2)18-13-25-28-20(18)26-22(30-17-9-10-23-12-17)27-21(28)24-11-16-7-5-6-8-19(16)29-15(3)4/h5-8,13-15,17,23H,9-12H2,1-4H3,(H,24,26,27).
What are the key properties of 8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 410.52 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 78161990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).