5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H20ClN5O — CID 103076466

IUPAC5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCN(c1c(C)c(Cl)nc2ncnn12)C(C)C1CC1
InChIInChI=1S/C14H20ClN5O/c1-9-12(15)18-14-16-8-17-20(14)13(9)19(6-7-21-3)10(2)11-4-5-11/h8,10-11H,4-7H2,1-3H3
InChIKeyCEQXDOAUGRTYEH-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.34
Rot. Bonds6

About 5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076466) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076466
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCN(c1c(C)c(Cl)nc2ncnn12)C(C)C1CC1
InChIInChI=1S/C14H20ClN5O/c1-9-12(15)18-14-16-8-17-20(14)13(9)19(6-7-21-3)10(2)11-4-5-11/h8,10-11H,4-7H2,1-3H3
InChIKeyCEQXDOAUGRTYEH-UHFFFAOYSA-N
XLogP2.34
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.34
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)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076466) is 5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCCN(c1c(C)c(Cl)nc2ncnn12)C(C)C1CC1.
What is the InChIKey of 5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CEQXDOAUGRTYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-9-12(15)18-14-16-8-17-20(14)13(9)19(6-7-21-3)10(2)11-4-5-11/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 309.80 g/mol, XLogP of 2.34, 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)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).