N-ethyl-N-[[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]methyl]ethanamine

C17H25N9 — CID 46992507

IUPACN-ethyl-N-[[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]methyl]ethanamine
SMILESCCN(CC)Cc1cn(C2CCN(c3ncnc4nc[nH]c34)CC2)nn1
InChIInChI=1S/C17H25N9/c1-3-24(4-2)9-13-10-26(23-22-13)14-5-7-25(8-6-14)17-15-16(19-11-18-15)20-12-21-17/h10-12,14H,3-9H2,1-2H3,(H,18,19,20,21)
InChIKeyLSUXBVIPVMGOOH-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.63
Rot. Bonds6

About N-ethyl-N-[[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]methyl]ethanamine

N-ethyl-N-[[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]methyl]ethanamine (PubChem CID 46992507) has the molecular formula C17H25N9 and a molecular weight of 355.45 g/mol. Its IUPAC name is N-ethyl-N-[[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]methyl]ethanamine
PubChem CID46992507
Molecular FormulaC17H25N9
Molecular Weight355.45 g/mol
Exact Mass355.22
IUPAC NameN-ethyl-N-[[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]methyl]ethanamine
SMILESCCN(CC)Cc1cn(C2CCN(c3ncnc4nc[nH]c34)CC2)nn1
InChIInChI=1S/C17H25N9/c1-3-24(4-2)9-13-10-26(23-22-13)14-5-7-25(8-6-14)17-15-16(19-11-18-15)20-12-21-17/h10-12,14H,3-9H2,1-2H3,(H,18,19,20,21)
InChIKeyLSUXBVIPVMGOOH-UHFFFAOYSA-N
XLogP1.63
TPSA91.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-ethyl-N-[[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]methyl]ethanamine with MolForge

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Related Compounds

ST-1535
CID 9860294
9-Methyl-2-pentyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 9814428
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-(1-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 89720115
9-Methyl-2-propyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 11608581
6-N-butyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 162645290
2-N-(1-methylpyrazol-4-yl)-6-N-(4,4,4-trifluorobutyl)-7H-purine-2,6-diamine
CID 162647682
2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 162650803
N-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-2-amine
CID 162658440
N-(3-imidazol-1-ylpropyl)-7H-purin-6-amine
CID 4639586
N-(1-propan-2-ylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-6-amine
CID 169095370
N*6*-cyclohexyl-N*2*-(1-methyl-1H-pyrazol-4-yl)-9H-purine-2,6-diamine
CID 78324037
8-methyl-N-(1-methylpyrazol-4-yl)-7H-purin-6-amine
CID 52104086

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]methyl]ethanamine (CID 46992507) is N-ethyl-N-[[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]methyl]ethanamine is CCN(CC)Cc1cn(C2CCN(c3ncnc4nc[nH]c34)CC2)nn1.
What is the InChIKey of N-ethyl-N-[[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]methyl]ethanamine?
The InChIKey is LSUXBVIPVMGOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N9/c1-3-24(4-2)9-13-10-26(23-22-13)14-5-7-25(8-6-14)17-15-16(19-11-18-15)20-12-21-17/h10-12,14H,3-9H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-ethyl-N-[[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]methyl]ethanamine?
N-ethyl-N-[[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]methyl]ethanamine has a molecular weight of 355.45 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 46992507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).