N-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H16ClN5O — CID 15990005

IUPACN-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2nc(C)cc(Nc3cc(Cl)ccc3OC)n2n1
InChIInChI=1S/C15H16ClN5O/c1-4-13-19-15-17-9(2)7-14(21(15)20-13)18-11-8-10(16)5-6-12(11)22-3/h5-8,18H,4H2,1-3H3
InChIKeyURGHQUSQKBIGOT-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.40
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 15990005) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID15990005
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2nc(C)cc(Nc3cc(Cl)ccc3OC)n2n1
InChIInChI=1S/C15H16ClN5O/c1-4-13-19-15-17-9(2)7-14(21(15)20-13)18-11-8-10(16)5-6-12(11)22-3/h5-8,18H,4H2,1-3H3
InChIKeyURGHQUSQKBIGOT-UHFFFAOYSA-N
XLogP3.40
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 15990005) is N-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1nc2nc(C)cc(Nc3cc(Cl)ccc3OC)n2n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is URGHQUSQKBIGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-4-13-19-15-17-9(2)7-14(21(15)20-13)18-11-8-10(16)5-6-12(11)22-3/h5-8,18H,4H2,1-3H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 317.78 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 15990005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).