5-chloro-N-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C10H13ClN6 — CID 102918562

IUPAC5-chloro-N-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN1CCC(Nc2cc(Cl)nc3ncnn23)C1
InChIInChI=1S/C10H13ClN6/c1-16-3-2-7(5-16)14-9-4-8(11)15-10-12-6-13-17(9)10/h4,6-7,14H,2-3,5H2,1H3
InChIKeyZFDAQOAFHJODDL-UHFFFAOYSA-N
MW252.71 g/mol
LogP0.89
Rot. Bonds2

About 5-chloro-N-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102918562) has the molecular formula C10H13ClN6 and a molecular weight of 252.71 g/mol. Its IUPAC name is 5-chloro-N-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102918562
Molecular FormulaC10H13ClN6
Molecular Weight252.71 g/mol
Exact Mass252.09
IUPAC Name5-chloro-N-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN1CCC(Nc2cc(Cl)nc3ncnn23)C1
InChIInChI=1S/C10H13ClN6/c1-16-3-2-7(5-16)14-9-4-8(11)15-10-12-6-13-17(9)10/h4,6-7,14H,2-3,5H2,1H3
InChIKeyZFDAQOAFHJODDL-UHFFFAOYSA-N
XLogP0.89
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 102918947
5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918874
5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918943
5-chloro-N-(1-cyclopropylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918871
N-cyclobutyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259071
5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918495
[2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]methanol
CID 114179137
5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918894
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919080
N-(1-cyclohexylpiperidin-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133296233
N-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106194022
5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918733

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102918562) is 5-chloro-N-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CN1CCC(Nc2cc(Cl)nc3ncnn23)C1.
What is the InChIKey of 5-chloro-N-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZFDAQOAFHJODDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6/c1-16-3-2-7(5-16)14-9-4-8(11)15-10-12-6-13-17(9)10/h4,6-7,14H,2-3,5H2,1H3.
What are the key properties of 5-chloro-N-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 252.71 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102918562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).