5-(2,4-dichlorophenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C18H17Cl2N5O — CID 2947517

IUPAC5-(2,4-dichlorophenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cccc(C2CC(c3ccc(Cl)cc3Cl)Nc3nc(N)nn32)c1
InChIInChI=1S/C18H17Cl2N5O/c1-26-12-4-2-3-10(7-12)16-9-15(13-6-5-11(19)8-14(13)20)22-18-23-17(21)24-25(16)18/h2-8,15-16H,9H2,1H3,(H3,21,22,23,24)
InChIKeySSOOJTXYAKGYSR-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.32
Rot. Bonds3

About 5-(2,4-dichlorophenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

5-(2,4-dichlorophenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 2947517) has the molecular formula C18H17Cl2N5O and a molecular weight of 390.27 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID2947517
Molecular FormulaC18H17Cl2N5O
Molecular Weight390.27 g/mol
Exact Mass389.08
IUPAC Name5-(2,4-dichlorophenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cccc(C2CC(c3ccc(Cl)cc3Cl)Nc3nc(N)nn32)c1
InChIInChI=1S/C18H17Cl2N5O/c1-26-12-4-2-3-10(7-12)16-9-15(13-6-5-11(19)8-14(13)20)22-18-23-17(21)24-25(16)18/h2-8,15-16H,9H2,1H3,(H3,21,22,23,24)
InChIKeySSOOJTXYAKGYSR-UHFFFAOYSA-N
XLogP4.32
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 2947517) is 5-(2,4-dichlorophenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1cccc(C2CC(c3ccc(Cl)cc3Cl)Nc3nc(N)nn32)c1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is SSOOJTXYAKGYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O/c1-26-12-4-2-3-10(7-12)16-9-15(13-6-5-11(19)8-14(13)20)22-18-23-17(21)24-25(16)18/h2-8,15-16H,9H2,1H3,(H3,21,22,23,24).
What are the key properties of 5-(2,4-dichlorophenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5-(2,4-dichlorophenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 390.27 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 2947517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).