N'-[7-[2-(4-chloro-2-methylphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide

C17H19ClN6O2 — CID 75240432

IUPACN'-[7-[2-(4-chloro-2-methylphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide
SMILESCONC=Nc1nc2nccc(C(C)(C)Oc3ccc(Cl)cc3C)n2n1
InChIInChI=1S/C17H19ClN6O2/c1-11-9-12(18)5-6-13(11)26-17(2,3)14-7-8-19-16-22-15(23-24(14)16)20-10-21-25-4/h5-10H,1-4H3,(H,20,21,23)
InChIKeyVPLJRBJTBKTTPC-UHFFFAOYSA-N
MW374.83 g/mol
LogP3.21
Rot. Bonds6

About N'-[7-[2-(4-chloro-2-methylphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide

N'-[7-[2-(4-chloro-2-methylphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide (PubChem CID 75240432) has the molecular formula C17H19ClN6O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is N'-[7-[2-(4-chloro-2-methylphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide.

Molecular Properties

Compound NameN'-[7-[2-(4-chloro-2-methylphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide
PubChem CID75240432
Molecular FormulaC17H19ClN6O2
Molecular Weight374.83 g/mol
Exact Mass374.13
IUPAC NameN'-[7-[2-(4-chloro-2-methylphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide
SMILESCONC=Nc1nc2nccc(C(C)(C)Oc3ccc(Cl)cc3C)n2n1
InChIInChI=1S/C17H19ClN6O2/c1-11-9-12(18)5-6-13(11)26-17(2,3)14-7-8-19-16-22-15(23-24(14)16)20-10-21-25-4/h5-10H,1-4H3,(H,20,21,23)
InChIKeyVPLJRBJTBKTTPC-UHFFFAOYSA-N
XLogP3.21
TPSA85.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[7-[2-(4-chloro-2-methylphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide 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 N'-[7-[2-(4-chloro-2-methylphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide?
The IUPAC name of N'-[7-[2-(4-chloro-2-methylphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide (CID 75240432) is N'-[7-[2-(4-chloro-2-methylphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide.
What is the SMILES notation for N'-[7-[2-(4-chloro-2-methylphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide?
The canonical SMILES for N'-[7-[2-(4-chloro-2-methylphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide is CONC=Nc1nc2nccc(C(C)(C)Oc3ccc(Cl)cc3C)n2n1.
What is the InChIKey of N'-[7-[2-(4-chloro-2-methylphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide?
The InChIKey is VPLJRBJTBKTTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O2/c1-11-9-12(18)5-6-13(11)26-17(2,3)14-7-8-19-16-22-15(23-24(14)16)20-10-21-25-4/h5-10H,1-4H3,(H,20,21,23).
What are the key properties of N'-[7-[2-(4-chloro-2-methylphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide?
N'-[7-[2-(4-chloro-2-methylphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide has a molecular weight of 374.83 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-[2-(4-chloro-2-methylphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide is sourced from PubChem (CID 75240432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).