2-ethyl-N-(4-iodophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H14IN5 — CID 22431833

IUPAC2-ethyl-N-(4-iodophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2nc(C)cc(Nc3ccc(I)cc3)n2n1
InChIInChI=1S/C14H14IN5/c1-3-12-18-14-16-9(2)8-13(20(14)19-12)17-11-6-4-10(15)5-7-11/h4-8,17H,3H2,1-2H3
InChIKeyYEGUTCXBSDUCSP-UHFFFAOYSA-N
MW379.21 g/mol
LogP3.34
Rot. Bonds3

About 2-ethyl-N-(4-iodophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2-ethyl-N-(4-iodophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 22431833) has the molecular formula C14H14IN5 and a molecular weight of 379.21 g/mol. Its IUPAC name is 2-ethyl-N-(4-iodophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-ethyl-N-(4-iodophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID22431833
Molecular FormulaC14H14IN5
Molecular Weight379.21 g/mol
Exact Mass379.03
IUPAC Name2-ethyl-N-(4-iodophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2nc(C)cc(Nc3ccc(I)cc3)n2n1
InChIInChI=1S/C14H14IN5/c1-3-12-18-14-16-9(2)8-13(20(14)19-12)17-11-6-4-10(15)5-7-11/h4-8,17H,3H2,1-2H3
InChIKeyYEGUTCXBSDUCSP-UHFFFAOYSA-N
XLogP3.34
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Dsm-265
CID 51347395
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N,N-Dimethyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-benzene-1,4-diamine
CID 741604
N,N'-Diphenylpyrazolo(1,5-A)(1,3,5)triazine-2,4-diamine
CID 24779674
Dsm-74
CID 25263414
N-(4-butylphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 16030702
5-Methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 975713
N-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 517728
N-(3-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 517858
N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 653193
N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 4909257

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-iodophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-ethyl-N-(4-iodophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 22431833) is 2-ethyl-N-(4-iodophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-ethyl-N-(4-iodophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-ethyl-N-(4-iodophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1nc2nc(C)cc(Nc3ccc(I)cc3)n2n1.
What is the InChIKey of 2-ethyl-N-(4-iodophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YEGUTCXBSDUCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN5/c1-3-12-18-14-16-9(2)8-13(20(14)19-12)17-11-6-4-10(15)5-7-11/h4-8,17H,3H2,1-2H3.
What are the key properties of 2-ethyl-N-(4-iodophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2-ethyl-N-(4-iodophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 379.21 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-iodophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 22431833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).