2-[pentyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol

C12H19N5O — CID 175802455

IUPAC2-[pentyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
SMILESCCCCCN(CCO)c1ccnc2ncnn12
InChIInChI=1S/C12H19N5O/c1-2-3-4-7-16(8-9-18)11-5-6-13-12-14-10-15-17(11)12/h5-6,10,18H,2-4,7-9H2,1H3
InChIKeyCBYOWCVCKMKDDU-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.11
Rot. Bonds7

About 2-[pentyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol

2-[pentyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol (PubChem CID 175802455) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[pentyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol.

Molecular Properties

Compound Name2-[pentyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
PubChem CID175802455
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[pentyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
SMILESCCCCCN(CCO)c1ccnc2ncnn12
InChIInChI=1S/C12H19N5O/c1-2-3-4-7-16(8-9-18)11-5-6-13-12-14-10-15-17(11)12/h5-6,10,18H,2-4,7-9H2,1H3
InChIKeyCBYOWCVCKMKDDU-UHFFFAOYSA-N
XLogP1.11
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-(2-chloroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63388873
2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol
CID 80808960
2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2-methoxyethyl)amino]ethanol
CID 102919142
N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70020006
N-[(5-ethylthiophen-2-yl)methyl]-N-(1,3-oxazol-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 167787694
4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid
CID 54948033
7-(1-bromopropyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 57116245
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-enylamino]ethanol
CID 115658382
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]ethanol
CID 103076298
2-[propyl(pyrimidin-4-yl)amino]ethanol
CID 61426077
2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol
CID 71866571
4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide
CID 61447985

Frequently Asked Questions

What is the IUPAC name of 2-[pentyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
The IUPAC name of 2-[pentyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol (CID 175802455) is 2-[pentyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol.
What is the SMILES notation for 2-[pentyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
The canonical SMILES for 2-[pentyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol is CCCCCN(CCO)c1ccnc2ncnn12.
What is the InChIKey of 2-[pentyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
The InChIKey is CBYOWCVCKMKDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-3-4-7-16(8-9-18)11-5-6-13-12-14-10-15-17(11)12/h5-6,10,18H,2-4,7-9H2,1H3.
What are the key properties of 2-[pentyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
2-[pentyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol has a molecular weight of 249.32 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol is sourced from PubChem (CID 175802455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).