N-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol

C19H23N7O — CID 144695350

IUPACN-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol
SMILESCO.Cn1cc2ccc(-n3nnc4cnc(NC5CCCC5)nc43)cc2c1
InChIInChI=1S/C18H19N7.CH4O/c1-24-10-12-6-7-15(8-13(12)11-24)25-17-16(22-23-25)9-19-18(21-17)20-14-4-2-3-5-14;1-2/h6-11,14H,2-5H2,1H3,(H,19,20,21);2H,1H3
InChIKeyBDDZHSTWALAKAG-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.67
Rot. Bonds3

About N-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol

N-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol (PubChem CID 144695350) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is N-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol.

Molecular Properties

Compound NameN-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol
PubChem CID144695350
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC NameN-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol
SMILESCO.Cn1cc2ccc(-n3nnc4cnc(NC5CCCC5)nc43)cc2c1
InChIInChI=1S/C18H19N7.CH4O/c1-24-10-12-6-7-15(8-13(12)11-24)25-17-16(22-23-25)9-19-18(21-17)20-14-4-2-3-5-14;1-2/h6-11,14H,2-5H2,1H3,(H,19,20,21);2H,1H3
InChIKeyBDDZHSTWALAKAG-UHFFFAOYSA-N
XLogP2.67
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 129108828
N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 86279715
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
N-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid
CID 129094366
N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 129109006
N-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine
CID 129094339
3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid
CID 123610593
2-[4-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]-2-fluorophenyl]pyrazol-1-yl]ethanol
CID 129094287
trans-(1S,3S)-3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90389737
trans-(1R,3R)-3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90397860
N-cyclopentyl-3-[4-(2-ethoxyethoxy)phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 129094398

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol?
The IUPAC name of N-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol (CID 144695350) is N-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol.
What is the SMILES notation for N-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol?
The canonical SMILES for N-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol is CO.Cn1cc2ccc(-n3nnc4cnc(NC5CCCC5)nc43)cc2c1.
What is the InChIKey of N-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol?
The InChIKey is BDDZHSTWALAKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7.CH4O/c1-24-10-12-6-7-15(8-13(12)11-24)25-17-16(22-23-25)9-19-18(21-17)20-14-4-2-3-5-14;1-2/h6-11,14H,2-5H2,1H3,(H,19,20,21);2H,1H3.
What are the key properties of N-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol?
N-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol has a molecular weight of 365.44 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol is sourced from PubChem (CID 144695350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).