N,N-dimethyl-N'-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide

C12H12N6S — CID 6279969

IUPACN,N-dimethyl-N'-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide
SMILESCN(C)/C=N/c1nc2nccc(-c3cccs3)n2n1
InChIInChI=1S/C12H12N6S/c1-17(2)8-14-11-15-12-13-6-5-9(18(12)16-11)10-4-3-7-19-10/h3-8H,1-2H3/b14-8+
InChIKeyQUVBYDIHFHODIR-RIYZIHGNSA-N
MW272.34 g/mol
LogP2.07
Rot. Bonds3

About N,N-dimethyl-N'-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide

N,N-dimethyl-N'-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide (PubChem CID 6279969) has the molecular formula C12H12N6S and a molecular weight of 272.34 g/mol. Its IUPAC name is N,N-dimethyl-N'-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide
PubChem CID6279969
Molecular FormulaC12H12N6S
Molecular Weight272.34 g/mol
Exact Mass272.08
IUPAC NameN,N-dimethyl-N'-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide
SMILESCN(C)/C=N/c1nc2nccc(-c3cccs3)n2n1
InChIInChI=1S/C12H12N6S/c1-17(2)8-14-11-15-12-13-6-5-9(18(12)16-11)10-4-3-7-19-10/h3-8H,1-2H3/b14-8+
InChIKeyQUVBYDIHFHODIR-RIYZIHGNSA-N
XLogP2.07
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide (CID 6279969) is N,N-dimethyl-N'-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide is CN(C)/C=N/c1nc2nccc(-c3cccs3)n2n1.
What is the InChIKey of N,N-dimethyl-N'-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide?
The InChIKey is QUVBYDIHFHODIR-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H12N6S/c1-17(2)8-14-11-15-12-13-6-5-9(18(12)16-11)10-4-3-7-19-10/h3-8H,1-2H3/b14-8+.
What are the key properties of N,N-dimethyl-N'-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide?
N,N-dimethyl-N'-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide has a molecular weight of 272.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide is sourced from PubChem (CID 6279969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).