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

C10H12ClN5O — CID 102919086

IUPAC[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2cc(Cl)nc3ncnn23)C1
InChIInChI=1S/C10H12ClN5O/c11-8-3-9(15-2-1-7(4-15)5-17)16-10(14-8)12-6-13-16/h3,6-7,17H,1-2,4-5H2
InChIKeyJMAGMPBABFQEDD-UHFFFAOYSA-N
MW253.69 g/mol
LogP0.60
Rot. Bonds2

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

[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol (PubChem CID 102919086) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is [1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol
PubChem CID102919086
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2cc(Cl)nc3ncnn23)C1
InChIInChI=1S/C10H12ClN5O/c11-8-3-9(15-2-1-7(4-15)5-17)16-10(14-8)12-6-13-16/h3,6-7,17H,1-2,4-5H2
InChIKeyJMAGMPBABFQEDD-UHFFFAOYSA-N
XLogP0.60
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918816
N-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide
CID 102919228
[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
CID 56814951
7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919125
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol
CID 115657951
7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918340
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 102918257
5-chloro-7-(4-methylazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918844
[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-3-yl]methanol
CID 62370632
5-chloro-7-(4-ethyl-3-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918842
[4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 102919218
7-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 114800712

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol (CID 102919086) is [1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol is OCC1CCN(c2cc(Cl)nc3ncnn23)C1.
What is the InChIKey of [1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol?
The InChIKey is JMAGMPBABFQEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c11-8-3-9(15-2-1-7(4-15)5-17)16-10(14-8)12-6-13-16/h3,6-7,17H,1-2,4-5H2.
What are the key properties of [1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol?
[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol has a molecular weight of 253.69 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 102919086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).