7-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

C19H24N6O2 — CID 162668271

IUPAC7-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCOc1cc(OC)cc(-c2nc3cc(NC4CCCCC4)nc(N)n3n2)c1
InChIInChI=1S/C19H24N6O2/c1-26-14-8-12(9-15(10-14)27-2)18-23-17-11-16(22-19(20)25(17)24-18)21-13-6-4-3-5-7-13/h8-11,13,21H,3-7H2,1-2H3,(H2,20,22)
InChIKeyOCKABPUOSZUSKH-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.14
Rot. Bonds5

About 7-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

7-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (PubChem CID 162668271) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 7-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name7-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
PubChem CID162668271
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name7-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCOc1cc(OC)cc(-c2nc3cc(NC4CCCCC4)nc(N)n3n2)c1
InChIInChI=1S/C19H24N6O2/c1-26-14-8-12(9-15(10-14)27-2)18-23-17-11-16(22-19(20)25(17)24-18)21-13-6-4-3-5-7-13/h8-11,13,21H,3-7H2,1-2H3,(H2,20,22)
InChIKeyOCKABPUOSZUSKH-UHFFFAOYSA-N
XLogP3.14
TPSA99.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The IUPAC name of 7-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (CID 162668271) is 7-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.
What is the SMILES notation for 7-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The canonical SMILES for 7-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is COc1cc(OC)cc(-c2nc3cc(NC4CCCCC4)nc(N)n3n2)c1.
What is the InChIKey of 7-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The InChIKey is OCKABPUOSZUSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-26-14-8-12(9-15(10-14)27-2)18-23-17-11-16(22-19(20)25(17)24-18)21-13-6-4-3-5-7-13/h8-11,13,21H,3-7H2,1-2H3,(H2,20,22).
What are the key properties of 7-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
7-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine has a molecular weight of 368.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is sourced from PubChem (CID 162668271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).