2-amino-5-[[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C18H20F2N6O — CID 167876004

IUPAC2-amino-5-[[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNc1nc2nc(CN(Cc3cc(F)ccc3F)C3CCCC3)cc(=O)n2[nH]1
InChIInChI=1S/C18H20F2N6O/c19-12-5-6-15(20)11(7-12)9-25(14-3-1-2-4-14)10-13-8-16(27)26-18(22-13)23-17(21)24-26/h5-8,14H,1-4,9-10H2,(H3,21,22,23,24)
InChIKeyGLWZZLVGLGHODS-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.22
Rot. Bonds5

About 2-amino-5-[[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-amino-5-[[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 167876004) has the molecular formula C18H20F2N6O and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-amino-5-[[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-[[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID167876004
Molecular FormulaC18H20F2N6O
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC Name2-amino-5-[[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNc1nc2nc(CN(Cc3cc(F)ccc3F)C3CCCC3)cc(=O)n2[nH]1
InChIInChI=1S/C18H20F2N6O/c19-12-5-6-15(20)11(7-12)9-25(14-3-1-2-4-14)10-13-8-16(27)26-18(22-13)23-17(21)24-26/h5-8,14H,1-4,9-10H2,(H3,21,22,23,24)
InChIKeyGLWZZLVGLGHODS-UHFFFAOYSA-N
XLogP2.22
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-[[cyclopentyl-[(2,5-difluorophenyl)methyl]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 2-amino-5-[[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-[[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 167876004) is 2-amino-5-[[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-[[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-[[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Nc1nc2nc(CN(Cc3cc(F)ccc3F)C3CCCC3)cc(=O)n2[nH]1.
What is the InChIKey of 2-amino-5-[[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GLWZZLVGLGHODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6O/c19-12-5-6-15(20)11(7-12)9-25(14-3-1-2-4-14)10-13-8-16(27)26-18(22-13)23-17(21)24-26/h5-8,14H,1-4,9-10H2,(H3,21,22,23,24).
What are the key properties of 2-amino-5-[[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-5-[[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 374.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 167876004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).