5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine

C19H25ClN6O — CID 56659948

IUPAC5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCCN(CCC)c1c(C)c(Nc2ccc(OC)cc2Cl)nc2ncnn12
InChIInChI=1S/C19H25ClN6O/c1-5-9-25(10-6-2)18-13(3)17(24-19-21-12-22-26(18)19)23-16-8-7-14(27-4)11-15(16)20/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,21,22,23,24)
InChIKeyGTCOOEAGTNEARW-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.46
Rot. Bonds8

About 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine

5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 56659948) has the molecular formula C19H25ClN6O and a molecular weight of 388.90 g/mol. Its IUPAC name is 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID56659948
Molecular FormulaC19H25ClN6O
Molecular Weight388.90 g/mol
Exact Mass388.18
IUPAC Name5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCCN(CCC)c1c(C)c(Nc2ccc(OC)cc2Cl)nc2ncnn12
InChIInChI=1S/C19H25ClN6O/c1-5-9-25(10-6-2)18-13(3)17(24-19-21-12-22-26(18)19)23-16-8-7-14(27-4)11-15(16)20/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,21,22,23,24)
InChIKeyGTCOOEAGTNEARW-UHFFFAOYSA-N
XLogP4.46
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine (CID 56659948) is 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine is CCCN(CCC)c1c(C)c(Nc2ccc(OC)cc2Cl)nc2ncnn12.
What is the InChIKey of 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is GTCOOEAGTNEARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6O/c1-5-9-25(10-6-2)18-13(3)17(24-19-21-12-22-26(18)19)23-16-8-7-14(27-4)11-15(16)20/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,21,22,23,24).
What are the key properties of 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 388.90 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 56659948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).