7-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine

C15H16ClN5 — CID 79721469

IUPAC7-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClc1nc(C2CCc3cccnc32)nc(N2CCCC2)n1
InChIInChI=1S/C15H16ClN5/c16-14-18-13(19-15(20-14)21-8-1-2-9-21)11-6-5-10-4-3-7-17-12(10)11/h3-4,7,11H,1-2,5-6,8-9H2
InChIKeySJRAZXGWZCFITA-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.60
Rot. Bonds2

About 7-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine

7-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 79721469) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is 7-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name7-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID79721469
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name7-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClc1nc(C2CCc3cccnc32)nc(N2CCCC2)n1
InChIInChI=1S/C15H16ClN5/c16-14-18-13(19-15(20-14)21-8-1-2-9-21)11-6-5-10-4-3-7-17-12(10)11/h3-4,7,11H,1-2,5-6,8-9H2
InChIKeySJRAZXGWZCFITA-UHFFFAOYSA-N
XLogP2.60
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 114563116
7-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 102716446
7-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 80952163
7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79738012
7-(5-chloropyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 105371323
7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79739169
7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 80952013
4-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10568388
2-N,2-N-dimethyl-6-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,5-triazine-2,4-diamine
CID 79740503
7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79739769
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 79733260
7-(6-chloro-2-propylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 80945467

Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 7-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 79721469) is 7-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 7-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 7-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine is Clc1nc(C2CCc3cccnc32)nc(N2CCCC2)n1.
What is the InChIKey of 7-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is SJRAZXGWZCFITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c16-14-18-13(19-15(20-14)21-8-1-2-9-21)11-6-5-10-4-3-7-17-12(10)11/h3-4,7,11H,1-2,5-6,8-9H2.
What are the key properties of 7-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
7-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 301.78 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 79721469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).