N-[2-(4-chlorophenoxy)ethyl]-3-cyclopropyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C17H18ClN5O — CID 133478153

IUPACN-[2-(4-chlorophenoxy)ethyl]-3-cyclopropyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCN(CCOc1ccc(Cl)cc1)c1nccn2c(C3CC3)nnc12
InChIInChI=1S/C17H18ClN5O/c1-22(10-11-24-14-6-4-13(18)5-7-14)16-17-21-20-15(12-2-3-12)23(17)9-8-19-16/h4-9,12H,2-3,10-11H2,1H3
InChIKeyWBPKXEXUOLACLT-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.17
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-3-cyclopropyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-[2-(4-chlorophenoxy)ethyl]-3-cyclopropyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 133478153) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-3-cyclopropyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-3-cyclopropyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID133478153
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-3-cyclopropyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCN(CCOc1ccc(Cl)cc1)c1nccn2c(C3CC3)nnc12
InChIInChI=1S/C17H18ClN5O/c1-22(10-11-24-14-6-4-13(18)5-7-14)16-17-21-20-15(12-2-3-12)23(17)9-8-19-16/h4-9,12H,2-3,10-11H2,1H3
InChIKeyWBPKXEXUOLACLT-UHFFFAOYSA-N
XLogP3.17
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-cyclopropyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-cyclopropyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 133478153) is N-[2-(4-chlorophenoxy)ethyl]-3-cyclopropyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-3-cyclopropyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-3-cyclopropyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CN(CCOc1ccc(Cl)cc1)c1nccn2c(C3CC3)nnc12.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-3-cyclopropyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is WBPKXEXUOLACLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-22(10-11-24-14-6-4-13(18)5-7-14)16-17-21-20-15(12-2-3-12)23(17)9-8-19-16/h4-9,12H,2-3,10-11H2,1H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-3-cyclopropyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-[2-(4-chlorophenoxy)ethyl]-3-cyclopropyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 343.82 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-3-cyclopropyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 133478153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).