1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol

C15H24N6O — CID 56815285

IUPAC1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol
SMILESCCc1cc(NCC(O)CN2CCCCC2)n2ncnc2n1
InChIInChI=1S/C15H24N6O/c1-2-12-8-14(21-15(19-12)17-11-18-21)16-9-13(22)10-20-6-4-3-5-7-20/h8,11,13,16,22H,2-7,9-10H2,1H3
InChIKeyDPZWMTXASZIEMR-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.95
Rot. Bonds6

About 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol

1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol (PubChem CID 56815285) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol
PubChem CID56815285
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol
SMILESCCc1cc(NCC(O)CN2CCCCC2)n2ncnc2n1
InChIInChI=1S/C15H24N6O/c1-2-12-8-14(21-15(19-12)17-11-18-21)16-9-13(22)10-20-6-4-3-5-7-20/h8,11,13,16,22H,2-7,9-10H2,1H3
InChIKeyDPZWMTXASZIEMR-UHFFFAOYSA-N
XLogP0.95
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol (CID 56815285) is 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol is CCc1cc(NCC(O)CN2CCCCC2)n2ncnc2n1.
What is the InChIKey of 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is DPZWMTXASZIEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-2-12-8-14(21-15(19-12)17-11-18-21)16-9-13(22)10-20-6-4-3-5-7-20/h8,11,13,16,22H,2-7,9-10H2,1H3.
What are the key properties of 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol?
1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 304.40 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 56815285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).