2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

C19H31N7O — CID 122517837

IUPAC2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCC(C)c1cnn2c(NCC3CCNCC3)nc(NC3CCOCC3)nc12
InChIInChI=1S/C19H31N7O/c1-13(2)16-12-22-26-17(16)24-18(23-15-5-9-27-10-6-15)25-19(26)21-11-14-3-7-20-8-4-14/h12-15,20H,3-11H2,1-2H3,(H2,21,23,24,25)
InChIKeyBKPCRRJDURRPGO-UHFFFAOYSA-N
MW373.51 g/mol
LogP2.25
Rot. Bonds6

About 2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (PubChem CID 122517837) has the molecular formula C19H31N7O and a molecular weight of 373.51 g/mol. Its IUPAC name is 2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
PubChem CID122517837
Molecular FormulaC19H31N7O
Molecular Weight373.51 g/mol
Exact Mass373.26
IUPAC Name2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCC(C)c1cnn2c(NCC3CCNCC3)nc(NC3CCOCC3)nc12
InChIInChI=1S/C19H31N7O/c1-13(2)16-12-22-26-17(16)24-18(23-15-5-9-27-10-6-15)25-19(26)21-11-14-3-7-20-8-4-14/h12-15,20H,3-11H2,1-2H3,(H2,21,23,24,25)
InChIKeyBKPCRRJDURRPGO-UHFFFAOYSA-N
XLogP2.25
TPSA88.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The IUPAC name of 2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (CID 122517837) is 2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.
What is the SMILES notation for 2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The canonical SMILES for 2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is CC(C)c1cnn2c(NCC3CCNCC3)nc(NC3CCOCC3)nc12.
What is the InChIKey of 2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The InChIKey is BKPCRRJDURRPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O/c1-13(2)16-12-22-26-17(16)24-18(23-15-5-9-27-10-6-15)25-19(26)21-11-14-3-7-20-8-4-14/h12-15,20H,3-11H2,1-2H3,(H2,21,23,24,25).
What are the key properties of 2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine has a molecular weight of 373.51 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is sourced from PubChem (CID 122517837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).