7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine

C13H18ClN5 — CID 102919125

IUPAC7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)(C)C1CCN(c2cc(Cl)nc3ncnn23)C1
InChIInChI=1S/C13H18ClN5/c1-13(2,3)9-4-5-18(7-9)11-6-10(14)17-12-15-8-16-19(11)12/h6,8-9H,4-5,7H2,1-3H3
InChIKeyHEXYFWPDKMFBIQ-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.65
Rot. Bonds1

About 7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 102919125) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID102919125
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)(C)C1CCN(c2cc(Cl)nc3ncnn23)C1
InChIInChI=1S/C13H18ClN5/c1-13(2,3)9-4-5-18(7-9)11-6-10(14)17-12-15-8-16-19(11)12/h6,8-9H,4-5,7H2,1-3H3
InChIKeyHEXYFWPDKMFBIQ-UHFFFAOYSA-N
XLogP2.65
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
5-chloro-7-(4-methylazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918844
[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol
CID 102919086
7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918340
5-chloro-7-(4-ethyl-3-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918842
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 102918257
N-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide
CID 102919228
5-chloro-7-(2,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919199
5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918736
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol
CID 102919198
2-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 102918993
5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163354019

Frequently Asked Questions

What is the IUPAC name of 7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 102919125) is 7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine is CC(C)(C)C1CCN(c2cc(Cl)nc3ncnn23)C1.
What is the InChIKey of 7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is HEXYFWPDKMFBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-13(2,3)9-4-5-18(7-9)11-6-10(14)17-12-15-8-16-19(11)12/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 279.77 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 102919125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).