N-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine

C16H19N7O — CID 129094339

IUPACN-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine
SMILESCCOc1ccc(-n2nnc3cnc(NC4CCCC4)nc32)cn1
InChIInChI=1S/C16H19N7O/c1-2-24-14-8-7-12(9-17-14)23-15-13(21-22-23)10-18-16(20-15)19-11-5-3-4-6-11/h7-11H,2-6H2,1H3,(H,18,19,20)
InChIKeyXDHODXLXVMMJCZ-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.36
Rot. Bonds5

About N-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine

N-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 129094339) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is N-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine
PubChem CID129094339
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC NameN-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine
SMILESCCOc1ccc(-n2nnc3cnc(NC4CCCC4)nc32)cn1
InChIInChI=1S/C16H19N7O/c1-2-24-14-8-7-12(9-17-14)23-15-13(21-22-23)10-18-16(20-15)19-11-5-3-4-6-11/h7-11H,2-6H2,1H3,(H,18,19,20)
InChIKeyXDHODXLXVMMJCZ-UHFFFAOYSA-N
XLogP2.36
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

trans-(1R,3R)-3-[[3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90389709
3-[[3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 118659345
N-cyclopentyl-3-[4-(2-ethoxyethoxy)phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 129094398
N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 86279715
trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90389604
N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 129109006
carbamic acid;N-cyclohexyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 129094343
3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine
CID 144695368
1-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]phenoxy]-2-methylpropan-2-ol;formaldehyde
CID 144695452
N-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol
CID 144695350
N-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 129108828
trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 90389644

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of N-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine (CID 129094339) is N-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for N-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for N-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine is CCOc1ccc(-n2nnc3cnc(NC4CCCC4)nc32)cn1.
What is the InChIKey of N-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is XDHODXLXVMMJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-2-24-14-8-7-12(9-17-14)23-15-13(21-22-23)10-18-16(20-15)19-11-5-3-4-6-11/h7-11H,2-6H2,1H3,(H,18,19,20).
What are the key properties of N-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine?
N-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 325.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 129094339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).