3-[(4-amino-8-ethylpyrazolo[1,5-a][1,3,5]triazin-2-yl)-ethylamino]pentan-1-ol

C14H24N6O — CID 145163987

IUPAC3-[(4-amino-8-ethylpyrazolo[1,5-a][1,3,5]triazin-2-yl)-ethylamino]pentan-1-ol
SMILESCCc1cnn2c(N)nc(N(CC)C(CC)CCO)nc12
InChIInChI=1S/C14H24N6O/c1-4-10-9-16-20-12(10)17-14(18-13(20)15)19(6-3)11(5-2)7-8-21/h9,11,21H,4-8H2,1-3H3,(H2,15,17,18)
InChIKeyLKVYFZQZOPCRCQ-UHFFFAOYSA-N
MW292.39 g/mol
LogP1.26
Rot. Bonds7

About 3-[(4-amino-8-ethylpyrazolo[1,5-a][1,3,5]triazin-2-yl)-ethylamino]pentan-1-ol

3-[(4-amino-8-ethylpyrazolo[1,5-a][1,3,5]triazin-2-yl)-ethylamino]pentan-1-ol (PubChem CID 145163987) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-[(4-amino-8-ethylpyrazolo[1,5-a][1,3,5]triazin-2-yl)-ethylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-8-ethylpyrazolo[1,5-a][1,3,5]triazin-2-yl)-ethylamino]pentan-1-ol
PubChem CID145163987
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name3-[(4-amino-8-ethylpyrazolo[1,5-a][1,3,5]triazin-2-yl)-ethylamino]pentan-1-ol
SMILESCCc1cnn2c(N)nc(N(CC)C(CC)CCO)nc12
InChIInChI=1S/C14H24N6O/c1-4-10-9-16-20-12(10)17-14(18-13(20)15)19(6-3)11(5-2)7-8-21/h9,11,21H,4-8H2,1-3H3,(H2,15,17,18)
InChIKeyLKVYFZQZOPCRCQ-UHFFFAOYSA-N
XLogP1.26
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-8-ethylpyrazolo[1,5-a][1,3,5]triazin-2-yl)-ethylamino]pentan-1-ol?
The IUPAC name of 3-[(4-amino-8-ethylpyrazolo[1,5-a][1,3,5]triazin-2-yl)-ethylamino]pentan-1-ol (CID 145163987) is 3-[(4-amino-8-ethylpyrazolo[1,5-a][1,3,5]triazin-2-yl)-ethylamino]pentan-1-ol.
What is the SMILES notation for 3-[(4-amino-8-ethylpyrazolo[1,5-a][1,3,5]triazin-2-yl)-ethylamino]pentan-1-ol?
The canonical SMILES for 3-[(4-amino-8-ethylpyrazolo[1,5-a][1,3,5]triazin-2-yl)-ethylamino]pentan-1-ol is CCc1cnn2c(N)nc(N(CC)C(CC)CCO)nc12.
What is the InChIKey of 3-[(4-amino-8-ethylpyrazolo[1,5-a][1,3,5]triazin-2-yl)-ethylamino]pentan-1-ol?
The InChIKey is LKVYFZQZOPCRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-4-10-9-16-20-12(10)17-14(18-13(20)15)19(6-3)11(5-2)7-8-21/h9,11,21H,4-8H2,1-3H3,(H2,15,17,18).
What are the key properties of 3-[(4-amino-8-ethylpyrazolo[1,5-a][1,3,5]triazin-2-yl)-ethylamino]pentan-1-ol?
3-[(4-amino-8-ethylpyrazolo[1,5-a][1,3,5]triazin-2-yl)-ethylamino]pentan-1-ol has a molecular weight of 292.39 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-8-ethylpyrazolo[1,5-a][1,3,5]triazin-2-yl)-ethylamino]pentan-1-ol is sourced from PubChem (CID 145163987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).