N'-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide

C14H13FN6 — CID 3715620

IUPACN'-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc2nccc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C14H13FN6/c1-20(2)9-17-13-18-14-16-8-7-12(21(14)19-13)10-3-5-11(15)6-4-10/h3-9H,1-2H3
InChIKeyVLZPBIHYCDBOGL-UHFFFAOYSA-N
MW284.30 g/mol
LogP2.15
Rot. Bonds3

About N'-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide

N'-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 3715620) has the molecular formula C14H13FN6 and a molecular weight of 284.30 g/mol. Its IUPAC name is N'-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
PubChem CID3715620
Molecular FormulaC14H13FN6
Molecular Weight284.30 g/mol
Exact Mass284.12
IUPAC NameN'-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc2nccc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C14H13FN6/c1-20(2)9-17-13-18-14-16-8-7-12(21(14)19-13)10-3-5-11(15)6-4-10/h3-9H,1-2H3
InChIKeyVLZPBIHYCDBOGL-UHFFFAOYSA-N
XLogP2.15
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 1478926
N'-[7-[(1S)-1-(3-fluorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 7093967
7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498306
N'-[2-(dimethylaminomethylideneamino)-6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylmethanimidamide
CID 2767356
2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 30465384
7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66491531
7-(4-fluorophenyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1477331
N'-[7-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide
CID 7037043
6-(4-fluorophenyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
CID 4774984
2-methyl-7-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 43841109
3-(4-fluorophenyl)-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 56920623
N'-[7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide
CID 2767367

Frequently Asked Questions

What is the IUPAC name of N'-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide (CID 3715620) is N'-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide is CN(C)C=Nc1nc2nccc(-c3ccc(F)cc3)n2n1.
What is the InChIKey of N'-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is VLZPBIHYCDBOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6/c1-20(2)9-17-13-18-14-16-8-7-12(21(14)19-13)10-3-5-11(15)6-4-10/h3-9H,1-2H3.
What are the key properties of N'-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
N'-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 284.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 3715620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).