5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C12H19N5O2 — CID 62015793

IUPAC5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)N(CCCO)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C12H19N5O2/c1-9(2)16(4-3-5-18)7-10-6-11(19)17-12(15-10)13-8-14-17/h6,8-9,18H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyZRHZUZJIPOKRKR-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.01
Rot. Bonds6

About 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 62015793) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID62015793
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)N(CCCO)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C12H19N5O2/c1-9(2)16(4-3-5-18)7-10-6-11(19)17-12(15-10)13-8-14-17/h6,8-9,18H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyZRHZUZJIPOKRKR-UHFFFAOYSA-N
XLogP0.01
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one 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 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 62015793) is 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)N(CCCO)Cc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZRHZUZJIPOKRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-9(2)16(4-3-5-18)7-10-6-11(19)17-12(15-10)13-8-14-17/h6,8-9,18H,3-5,7H2,1-2H3,(H,13,14,15).
What are the key properties of 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 265.32 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 62015793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).