2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol

C13H18ClN5O — CID 103076453

IUPAC2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol
SMILESCc1c(Cl)nc2ncnn2c1N(CCO)C1CCCC1
InChIInChI=1S/C13H18ClN5O/c1-9-11(14)17-13-15-8-16-19(13)12(9)18(6-7-20)10-4-2-3-5-10/h8,10,20H,2-7H2,1H3
InChIKeyLWIWTJREBOLLIP-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.83
Rot. Bonds4

About 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol

2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol (PubChem CID 103076453) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol
PubChem CID103076453
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol
SMILESCc1c(Cl)nc2ncnn2c1N(CCO)C1CCCC1
InChIInChI=1S/C13H18ClN5O/c1-9-11(14)17-13-15-8-16-19(13)12(9)18(6-7-20)10-4-2-3-5-10/h8,10,20H,2-7H2,1H3
InChIKeyLWIWTJREBOLLIP-UHFFFAOYSA-N
XLogP1.83
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]ethanol
CID 103076298
2-[cyclopentyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 54998670
2-[cyclopropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 61147154
5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076140
5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075853
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol
CID 103076772
5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076466
5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076296
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 103076346
5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076318
5-chloro-N-(2-cyclopropylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076734
3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
CID 103076867

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol?
The IUPAC name of 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol (CID 103076453) is 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol.
What is the SMILES notation for 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol?
The canonical SMILES for 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol is Cc1c(Cl)nc2ncnn2c1N(CCO)C1CCCC1.
What is the InChIKey of 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol?
The InChIKey is LWIWTJREBOLLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-9-11(14)17-13-15-8-16-19(13)12(9)18(6-7-20)10-4-2-3-5-10/h8,10,20H,2-7H2,1H3.
What are the key properties of 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol?
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol has a molecular weight of 295.77 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol is sourced from PubChem (CID 103076453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).