N-ethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyrimidin-2-amine;formic acid

C17H18N8O2 — CID 166599913

IUPACN-ethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyrimidin-2-amine;formic acid
SMILESCCNc1ncc(-c2nccn2Cc2cccc3ncnn23)cn1.O=CO
InChIInChI=1S/C16H16N8.CH2O2/c1-2-17-16-19-8-12(9-20-16)15-18-6-7-23(15)10-13-4-3-5-14-21-11-22-24(13)14;2-1-3/h3-9,11H,2,10H2,1H3,(H,17,19,20);1H,(H,2,3)
InChIKeyHIORKQFSZNDZHX-UHFFFAOYSA-N
MW366.39 g/mol
LogP1.56
Rot. Bonds5

About N-ethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyrimidin-2-amine;formic acid

N-ethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyrimidin-2-amine;formic acid (PubChem CID 166599913) has the molecular formula C17H18N8O2 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-ethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyrimidin-2-amine;formic acid.

Molecular Properties

Compound NameN-ethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyrimidin-2-amine;formic acid
PubChem CID166599913
Molecular FormulaC17H18N8O2
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC NameN-ethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyrimidin-2-amine;formic acid
SMILESCCNc1ncc(-c2nccn2Cc2cccc3ncnn23)cn1.O=CO
InChIInChI=1S/C16H16N8.CH2O2/c1-2-17-16-19-8-12(9-20-16)15-18-6-7-23(15)10-13-4-3-5-14-21-11-22-24(13)14;2-1-3/h3-9,11H,2,10H2,1H3,(H,17,19,20);1H,(H,2,3)
InChIKeyHIORKQFSZNDZHX-UHFFFAOYSA-N
XLogP1.56
TPSA123.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyridin-2-amine
CID 165425775
5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 165417829
2-[(dimethylamino)methyl]-4-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]phenol
CID 165421482
N-propyl-5-[1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)imidazol-2-yl]pyrimidin-2-amine
CID 138377677
1-benzyl-2-phenylimidazole;formic acid
CID 158419728
5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid
CID 155939309
2,4-dimethyl-5-[(2-pyridin-4-ylimidazol-1-yl)methyl]pyridine;formic acid
CID 163338008
N-benzyl-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyrimidin-2-amine;formic acid
CID 171325246
1-(4-methylphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)cyclobutan-1-amine
CID 146142352
2-(ethylamino)pyrimidine-5-carbaldehyde
CID 11400865
3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide
CID 163319479
formic acid;3-[[2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyrazine
CID 155940525

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyrimidin-2-amine;formic acid?
The IUPAC name of N-ethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyrimidin-2-amine;formic acid (CID 166599913) is N-ethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyrimidin-2-amine;formic acid.
What is the SMILES notation for N-ethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyrimidin-2-amine;formic acid?
The canonical SMILES for N-ethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyrimidin-2-amine;formic acid is CCNc1ncc(-c2nccn2Cc2cccc3ncnn23)cn1.O=CO.
What is the InChIKey of N-ethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyrimidin-2-amine;formic acid?
The InChIKey is HIORKQFSZNDZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8.CH2O2/c1-2-17-16-19-8-12(9-20-16)15-18-6-7-23(15)10-13-4-3-5-14-21-11-22-24(13)14;2-1-3/h3-9,11H,2,10H2,1H3,(H,17,19,20);1H,(H,2,3).
What are the key properties of N-ethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyrimidin-2-amine;formic acid?
N-ethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyrimidin-2-amine;formic acid has a molecular weight of 366.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyrimidin-2-amine;formic acid is sourced from PubChem (CID 166599913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).