5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H16ClN5 — CID 102918874

IUPAC5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(Nc1cc(Cl)nc2ncnn12)C1CCCC1
InChIInChI=1S/C12H16ClN5/c1-8(9-4-2-3-5-9)16-11-6-10(13)17-12-14-7-15-18(11)12/h6-9,16H,2-5H2,1H3
InChIKeyRXJNMLIDQFFXFK-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.77
Rot. Bonds3

About 5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102918874) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102918874
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(Nc1cc(Cl)nc2ncnn12)C1CCCC1
InChIInChI=1S/C12H16ClN5/c1-8(9-4-2-3-5-9)16-11-6-10(13)17-12-14-7-15-18(11)12/h6-9,16H,2-5H2,1H3
InChIKeyRXJNMLIDQFFXFK-UHFFFAOYSA-N
XLogP2.77
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(1-cyclopropylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918871
N-(1-cyclopropylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71937878
5-chloro-N-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918562
5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918495
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol
CID 102918953
5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918943
5-chloro-N-(1-cyclopropylethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918468
[2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol
CID 114179137
5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505
1-cyclohexyl-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 115309390
[1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol
CID 102918762
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dimethylbutan-2-ol
CID 106192366

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102918874) is 5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(Nc1cc(Cl)nc2ncnn12)C1CCCC1.
What is the InChIKey of 5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RXJNMLIDQFFXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-8(9-4-2-3-5-9)16-11-6-10(13)17-12-14-7-15-18(11)12/h6-9,16H,2-5H2,1H3.
What are the key properties of 5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 265.75 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102918874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).