7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C16H22N8O — CID 72885247

IUPAC7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCOCCn1ccnc1C1CCCN(c2cc3nncn3c(N)n2)C1
InChIInChI=1S/C16H22N8O/c1-25-8-7-22-6-4-18-15(22)12-3-2-5-23(10-12)13-9-14-21-19-11-24(14)16(17)20-13/h4,6,9,11-12H,2-3,5,7-8,10H2,1H3,(H2,17,20)
InChIKeyRNTJOISQAQBMLT-UHFFFAOYSA-N
MW342.41 g/mol
LogP0.93
Rot. Bonds5

About 7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 72885247) has the molecular formula C16H22N8O and a molecular weight of 342.41 g/mol. Its IUPAC name is 7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID72885247
Molecular FormulaC16H22N8O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC Name7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCOCCn1ccnc1C1CCCN(c2cc3nncn3c(N)n2)C1
InChIInChI=1S/C16H22N8O/c1-25-8-7-22-6-4-18-15(22)12-3-2-5-23(10-12)13-9-14-21-19-11-24(14)16(17)20-13/h4,6,9,11-12H,2-3,5,7-8,10H2,1H3,(H2,17,20)
InChIKeyRNTJOISQAQBMLT-UHFFFAOYSA-N
XLogP0.93
TPSA99.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine
CID 97155887
7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 95868685
3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 97128849
4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 96575726
N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 72940306
4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 96573599
1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole
CID 168941227
2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
CID 72934277
2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
CID 97209448
N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 97211142
4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine
CID 72857071
[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 97278548

Frequently Asked Questions

What is the IUPAC name of 7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 72885247) is 7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is COCCn1ccnc1C1CCCN(c2cc3nncn3c(N)n2)C1.
What is the InChIKey of 7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is RNTJOISQAQBMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8O/c1-25-8-7-22-6-4-18-15(22)12-3-2-5-23(10-12)13-9-14-21-19-11-24(14)16(17)20-13/h4,6,9,11-12H,2-3,5,7-8,10H2,1H3,(H2,17,20).
What are the key properties of 7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 342.41 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 72885247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).