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

C13H18ClN5O — CID 102918652

IUPAC5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCN(c1cc(Cl)nc2ncnn12)C(C)C1CC1
InChIInChI=1S/C13H18ClN5O/c1-9(10-3-4-10)18(5-6-20-2)12-7-11(14)17-13-15-8-16-19(12)13/h7-10H,3-6H2,1-2H3
InChIKeyMKIOMARMPPJFPB-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.03
Rot. Bonds6

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

5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102918652) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102918652
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCN(c1cc(Cl)nc2ncnn12)C(C)C1CC1
InChIInChI=1S/C13H18ClN5O/c1-9(10-3-4-10)18(5-6-20-2)12-7-11(14)17-13-15-8-16-19(12)13/h7-10H,3-6H2,1-2H3
InChIKeyMKIOMARMPPJFPB-UHFFFAOYSA-N
XLogP2.03
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102918652) is 5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCCN(c1cc(Cl)nc2ncnn12)C(C)C1CC1.
What is the InChIKey of 5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MKIOMARMPPJFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-9(10-3-4-10)18(5-6-20-2)12-7-11(14)17-13-15-8-16-19(12)13/h7-10H,3-6H2,1-2H3.
What are the key properties of 5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 295.77 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102918652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).