2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol

C12H17N5O — CID 115657951

IUPAC2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol
SMILESCc1cc(N2CCC(CCO)C2)n2ncnc2n1
InChIInChI=1S/C12H17N5O/c1-9-6-11(17-12(15-9)13-8-14-17)16-4-2-10(7-16)3-5-18/h6,8,10,18H,2-5,7H2,1H3
InChIKeyRGBDWDROYAJNCU-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.64
Rot. Bonds3

About 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol

2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol (PubChem CID 115657951) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol
PubChem CID115657951
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol
SMILESCc1cc(N2CCC(CCO)C2)n2ncnc2n1
InChIInChI=1S/C12H17N5O/c1-9-6-11(17-12(15-9)13-8-14-17)16-4-2-10(7-16)3-5-18/h6,8,10,18H,2-5,7H2,1H3
InChIKeyRGBDWDROYAJNCU-UHFFFAOYSA-N
XLogP0.64
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 114800712
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol
CID 102919086
tert-butyl N-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methyl]carbamate
CID 133300889
N-cyclopropyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 166602280
5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95323188
7-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97221913
(3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 94173217
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900344
(3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 51687450
5-methyl-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136526216
(3S)-N-cyclopentyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 51687580

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol (CID 115657951) is 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol is Cc1cc(N2CCC(CCO)C2)n2ncnc2n1.
What is the InChIKey of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is RGBDWDROYAJNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-6-11(17-12(15-9)13-8-14-17)16-4-2-10(7-16)3-5-18/h6,8,10,18H,2-5,7H2,1H3.
What are the key properties of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol?
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 247.30 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115657951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).